(5R)-5-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-5-methylphenyl]-3,5-dimethyl-1,3-oxazolidin-2-one;molecular hydrogen

C20H21F2N5O2 — CID 159813135

IUPAC(5R)-5-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-5-methylphenyl]-3,5-dimethyl-1,3-oxazolidin-2-one;molecular hydrogen
SMILESCc1cc(Nc2ncn(-c3cc(F)cc(F)c3)n2)cc([C@]2(C)CN(C)C(=O)O2)c1.[H][H]
InChIInChI=1S/C20H19F2N5O2.H2/c1-12-4-13(20(2)10-26(3)19(28)29-20)6-16(5-12)24-18-23-11-27(25-18)17-8-14(21)7-15(22)9-17;/h4-9,11H,10H2,1-3H3,(H,24,25);1H/t20-;/m0./s1
InChIKeyNLHASDXRDRBQNE-BDQAORGHSA-N
MW401.42 g/mol
LogP4.14
Rot. Bonds4

About (5R)-5-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-5-methylphenyl]-3,5-dimethyl-1,3-oxazolidin-2-one;molecular hydrogen

(5R)-5-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-5-methylphenyl]-3,5-dimethyl-1,3-oxazolidin-2-one;molecular hydrogen (PubChem CID 159813135) has the molecular formula C20H21F2N5O2 and a molecular weight of 401.42 g/mol. Its IUPAC name is (5R)-5-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-5-methylphenyl]-3,5-dimethyl-1,3-oxazolidin-2-one;molecular hydrogen.

Molecular Properties

Compound Name(5R)-5-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-5-methylphenyl]-3,5-dimethyl-1,3-oxazolidin-2-one;molecular hydrogen
PubChem CID159813135
Molecular FormulaC20H21F2N5O2
Molecular Weight401.42 g/mol
Exact Mass401.17
IUPAC Name(5R)-5-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-5-methylphenyl]-3,5-dimethyl-1,3-oxazolidin-2-one;molecular hydrogen
SMILESCc1cc(Nc2ncn(-c3cc(F)cc(F)c3)n2)cc([C@]2(C)CN(C)C(=O)O2)c1.[H][H]
InChIInChI=1S/C20H19F2N5O2.H2/c1-12-4-13(20(2)10-26(3)19(28)29-20)6-16(5-12)24-18-23-11-27(25-18)17-8-14(21)7-15(22)9-17;/h4-9,11H,10H2,1-3H3,(H,24,25);1H/t20-;/m0./s1
InChIKeyNLHASDXRDRBQNE-BDQAORGHSA-N
XLogP4.14
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R)-5-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-5-methylphenyl]-3,5-dimethyl-1,3-oxazolidin-2-one;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-5-methylphenyl]-3,5-dimethyl-1,3-oxazolidin-2-one;molecular hydrogen?
The IUPAC name of (5R)-5-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-5-methylphenyl]-3,5-dimethyl-1,3-oxazolidin-2-one;molecular hydrogen (CID 159813135) is (5R)-5-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-5-methylphenyl]-3,5-dimethyl-1,3-oxazolidin-2-one;molecular hydrogen.
What is the SMILES notation for (5R)-5-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-5-methylphenyl]-3,5-dimethyl-1,3-oxazolidin-2-one;molecular hydrogen?
The canonical SMILES for (5R)-5-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-5-methylphenyl]-3,5-dimethyl-1,3-oxazolidin-2-one;molecular hydrogen is Cc1cc(Nc2ncn(-c3cc(F)cc(F)c3)n2)cc([C@]2(C)CN(C)C(=O)O2)c1.[H][H].
What is the InChIKey of (5R)-5-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-5-methylphenyl]-3,5-dimethyl-1,3-oxazolidin-2-one;molecular hydrogen?
The InChIKey is NLHASDXRDRBQNE-BDQAORGHSA-N. The full InChI is InChI=1S/C20H19F2N5O2.H2/c1-12-4-13(20(2)10-26(3)19(28)29-20)6-16(5-12)24-18-23-11-27(25-18)17-8-14(21)7-15(22)9-17;/h4-9,11H,10H2,1-3H3,(H,24,25);1H/t20-;/m0./s1.
What are the key properties of (5R)-5-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-5-methylphenyl]-3,5-dimethyl-1,3-oxazolidin-2-one;molecular hydrogen?
(5R)-5-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-5-methylphenyl]-3,5-dimethyl-1,3-oxazolidin-2-one;molecular hydrogen has a molecular weight of 401.42 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-5-methylphenyl]-3,5-dimethyl-1,3-oxazolidin-2-one;molecular hydrogen is sourced from PubChem (CID 159813135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).