(4R)-4-amino-2-methyl-1,2-oxazolidin-3-one;3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;iodomethane;(4R)-4-(methylamino)-1,2-oxazolidin-3-one;(4R)-2-methyl-4-(methylamino)-1,2-oxazolidin-3-one

C37H48ClF2IN10O11 — CID 157348514

IUPAC(4R)-4-amino-2-methyl-1,2-oxazolidin-3-one;3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;iodomethane;(4R)-4-(methylamino)-1,2-oxazolidin-3-one;(4R)-2-methyl-4-(methylamino)-1,2-oxazolidin-3-one
SMILESCI.CN1OC[C@@H](N)C1=O.CN[C@@H]1CON(C)C1=O.CN[C@@H]1CONC1=O.Cc1ccc(C(=O)N[C@@H]2CON(C)C2=O)cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C23H19ClF2N4O5.C5H10N2O2.2C4H8N2O2.CH3I/c1-12-3-4-13(20(31)28-17-10-35-29(2)22(17)32)7-18(12)30-11-27-21(19(24)23(30)33)34-9-14-5-6-15(25)8-16(14)26;1-6-4-3-9-7(2)5(4)8;1-6-4(7)3(5)2-8-6;1-5-3-2-8-6-4(3)7;1-2/h3-8,11,17H,9-10H2,1-2H3,(H,28,31);4,6H,3H2,1-2H3;3H,2,5H2,1H3;3,5H,2H2,1H3,(H,6,7);1H3/t17-;4-;2*3-;/m1111./s1
InChIKeyBHGHSKQPXFDSKA-UQPVIMGHSA-N
MW1009.20 g/mol
LogP-0.06
Rot. Bonds8

About (4R)-4-amino-2-methyl-1,2-oxazolidin-3-one;3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;iodomethane;(4R)-4-(methylamino)-1,2-oxazolidin-3-one;(4R)-2-methyl-4-(methylamino)-1,2-oxazolidin-3-one

(4R)-4-amino-2-methyl-1,2-oxazolidin-3-one;3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;iodomethane;(4R)-4-(methylamino)-1,2-oxazolidin-3-one;(4R)-2-methyl-4-(methylamino)-1,2-oxazolidin-3-one (PubChem CID 157348514) has the molecular formula C37H48ClF2IN10O11 and a molecular weight of 1009.20 g/mol. Its IUPAC name is (4R)-4-amino-2-methyl-1,2-oxazolidin-3-one;3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;iodomethane;(4R)-4-(methylamino)-1,2-oxazolidin-3-one;(4R)-2-methyl-4-(methylamino)-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name(4R)-4-amino-2-methyl-1,2-oxazolidin-3-one;3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;iodomethane;(4R)-4-(methylamino)-1,2-oxazolidin-3-one;(4R)-2-methyl-4-(methylamino)-1,2-oxazolidin-3-one
PubChem CID157348514
Molecular FormulaC37H48ClF2IN10O11
Molecular Weight1009.20 g/mol
Exact Mass1008.22
IUPAC Name(4R)-4-amino-2-methyl-1,2-oxazolidin-3-one;3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;iodomethane;(4R)-4-(methylamino)-1,2-oxazolidin-3-one;(4R)-2-methyl-4-(methylamino)-1,2-oxazolidin-3-one
SMILESCI.CN1OC[C@@H](N)C1=O.CN[C@@H]1CON(C)C1=O.CN[C@@H]1CONC1=O.Cc1ccc(C(=O)N[C@@H]2CON(C)C2=O)cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C23H19ClF2N4O5.C5H10N2O2.2C4H8N2O2.CH3I/c1-12-3-4-13(20(31)28-17-10-35-29(2)22(17)32)7-18(12)30-11-27-21(19(24)23(30)33)34-9-14-5-6-15(25)8-16(14)26;1-6-4-3-9-7(2)5(4)8;1-6-4(7)3(5)2-8-6;1-5-3-2-8-6-4(3)7;1-2/h3-8,11,17H,9-10H2,1-2H3,(H,28,31);4,6H,3H2,1-2H3;3H,2,5H2,1H3;3,5H,2H2,1H3,(H,6,7);1H3/t17-;4-;2*3-;/m1111./s1
InChIKeyBHGHSKQPXFDSKA-UQPVIMGHSA-N
XLogP-0.06
TPSA250.25 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001009.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (4R)-4-amino-2-methyl-1,2-oxazolidin-3-one;3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;iodomethane;(4R)-4-(methylamino)-1,2-oxazolidin-3-one;(4R)-2-methyl-4-(methylamino)-1,2-oxazolidin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-2-methyl-1,2-oxazolidin-3-one;3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;iodomethane;(4R)-4-(methylamino)-1,2-oxazolidin-3-one;(4R)-2-methyl-4-(methylamino)-1,2-oxazolidin-3-one?
The IUPAC name of (4R)-4-amino-2-methyl-1,2-oxazolidin-3-one;3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;iodomethane;(4R)-4-(methylamino)-1,2-oxazolidin-3-one;(4R)-2-methyl-4-(methylamino)-1,2-oxazolidin-3-one (CID 157348514) is (4R)-4-amino-2-methyl-1,2-oxazolidin-3-one;3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;iodomethane;(4R)-4-(methylamino)-1,2-oxazolidin-3-one;(4R)-2-methyl-4-(methylamino)-1,2-oxazolidin-3-one.
What is the SMILES notation for (4R)-4-amino-2-methyl-1,2-oxazolidin-3-one;3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;iodomethane;(4R)-4-(methylamino)-1,2-oxazolidin-3-one;(4R)-2-methyl-4-(methylamino)-1,2-oxazolidin-3-one?
The canonical SMILES for (4R)-4-amino-2-methyl-1,2-oxazolidin-3-one;3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;iodomethane;(4R)-4-(methylamino)-1,2-oxazolidin-3-one;(4R)-2-methyl-4-(methylamino)-1,2-oxazolidin-3-one is CI.CN1OC[C@@H](N)C1=O.CN[C@@H]1CON(C)C1=O.CN[C@@H]1CONC1=O.Cc1ccc(C(=O)N[C@@H]2CON(C)C2=O)cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O.
What is the InChIKey of (4R)-4-amino-2-methyl-1,2-oxazolidin-3-one;3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;iodomethane;(4R)-4-(methylamino)-1,2-oxazolidin-3-one;(4R)-2-methyl-4-(methylamino)-1,2-oxazolidin-3-one?
The InChIKey is BHGHSKQPXFDSKA-UQPVIMGHSA-N. The full InChI is InChI=1S/C23H19ClF2N4O5.C5H10N2O2.2C4H8N2O2.CH3I/c1-12-3-4-13(20(31)28-17-10-35-29(2)22(17)32)7-18(12)30-11-27-21(19(24)23(30)33)34-9-14-5-6-15(25)8-16(14)26;1-6-4-3-9-7(2)5(4)8;1-6-4(7)3(5)2-8-6;1-5-3-2-8-6-4(3)7;1-2/h3-8,11,17H,9-10H2,1-2H3,(H,28,31);4,6H,3H2,1-2H3;3H,2,5H2,1H3;3,5H,2H2,1H3,(H,6,7);1H3/t17-;4-;2*3-;/m1111./s1.
What are the key properties of (4R)-4-amino-2-methyl-1,2-oxazolidin-3-one;3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;iodomethane;(4R)-4-(methylamino)-1,2-oxazolidin-3-one;(4R)-2-methyl-4-(methylamino)-1,2-oxazolidin-3-one?
(4R)-4-amino-2-methyl-1,2-oxazolidin-3-one;3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;iodomethane;(4R)-4-(methylamino)-1,2-oxazolidin-3-one;(4R)-2-methyl-4-(methylamino)-1,2-oxazolidin-3-one has a molecular weight of 1009.20 g/mol, XLogP of -0.06, 8 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-2-methyl-1,2-oxazolidin-3-one;3-[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxopyrimidin-1-yl]-4-methyl-N-[(4R)-2-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide;iodomethane;(4R)-4-(methylamino)-1,2-oxazolidin-3-one;(4R)-2-methyl-4-(methylamino)-1,2-oxazolidin-3-one is sourced from PubChem (CID 157348514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).