(5R)-3-[[6-(azetidin-1-yl)-3-[2-methoxy-5-(1,3,5-trimethylpyrrol-2-yl)phenyl]-2-pyridinyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

C35H34F6N4O3 — CID 126691735

IUPAC(5R)-3-[[6-(azetidin-1-yl)-3-[2-methoxy-5-(1,3,5-trimethylpyrrol-2-yl)phenyl]-2-pyridinyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(-c2c(C)cc(C)n2C)cc1-c1ccc(N2CCC2)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C
InChIInChI=1S/C35H34F6N4O3/c1-19-13-20(2)43(4)31(19)22-7-9-29(47-5)27(16-22)26-8-10-30(44-11-6-12-44)42-28(26)18-45-21(3)32(48-33(45)46)23-14-24(34(36,37)38)17-25(15-23)35(39,40)41/h7-10,13-17,21,32H,6,11-12,18H2,1-5H3/t21?,32-/m0/s1
InChIKeySDTWCWVVLBTSQL-SOFIOUBHSA-N
MW672.67 g/mol
LogP8.71
Rot. Bonds7

About (5R)-3-[[6-(azetidin-1-yl)-3-[2-methoxy-5-(1,3,5-trimethylpyrrol-2-yl)phenyl]-2-pyridinyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

(5R)-3-[[6-(azetidin-1-yl)-3-[2-methoxy-5-(1,3,5-trimethylpyrrol-2-yl)phenyl]-2-pyridinyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 126691735) has the molecular formula C35H34F6N4O3 and a molecular weight of 672.67 g/mol. Its IUPAC name is (5R)-3-[[6-(azetidin-1-yl)-3-[2-methoxy-5-(1,3,5-trimethylpyrrol-2-yl)phenyl]-2-pyridinyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[[6-(azetidin-1-yl)-3-[2-methoxy-5-(1,3,5-trimethylpyrrol-2-yl)phenyl]-2-pyridinyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID126691735
Molecular FormulaC35H34F6N4O3
Molecular Weight672.67 g/mol
Exact Mass672.25
IUPAC Name(5R)-3-[[6-(azetidin-1-yl)-3-[2-methoxy-5-(1,3,5-trimethylpyrrol-2-yl)phenyl]-2-pyridinyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(-c2c(C)cc(C)n2C)cc1-c1ccc(N2CCC2)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C
InChIInChI=1S/C35H34F6N4O3/c1-19-13-20(2)43(4)31(19)22-7-9-29(47-5)27(16-22)26-8-10-30(44-11-6-12-44)42-28(26)18-45-21(3)32(48-33(45)46)23-14-24(34(36,37)38)17-25(15-23)35(39,40)41/h7-10,13-17,21,32H,6,11-12,18H2,1-5H3/t21?,32-/m0/s1
InChIKeySDTWCWVVLBTSQL-SOFIOUBHSA-N
XLogP8.71
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.67
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5R)-3-[[6-(azetidin-1-yl)-3-[2-methoxy-5-(1,3,5-trimethylpyrrol-2-yl)phenyl]-2-pyridinyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[6-(azetidin-1-yl)-3-[2-methoxy-5-(1,3,5-trimethylpyrrol-2-yl)phenyl]-2-pyridinyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[[6-(azetidin-1-yl)-3-[2-methoxy-5-(1,3,5-trimethylpyrrol-2-yl)phenyl]-2-pyridinyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (CID 126691735) is (5R)-3-[[6-(azetidin-1-yl)-3-[2-methoxy-5-(1,3,5-trimethylpyrrol-2-yl)phenyl]-2-pyridinyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[[6-(azetidin-1-yl)-3-[2-methoxy-5-(1,3,5-trimethylpyrrol-2-yl)phenyl]-2-pyridinyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[[6-(azetidin-1-yl)-3-[2-methoxy-5-(1,3,5-trimethylpyrrol-2-yl)phenyl]-2-pyridinyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one is COc1ccc(-c2c(C)cc(C)n2C)cc1-c1ccc(N2CCC2)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C.
What is the InChIKey of (5R)-3-[[6-(azetidin-1-yl)-3-[2-methoxy-5-(1,3,5-trimethylpyrrol-2-yl)phenyl]-2-pyridinyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is SDTWCWVVLBTSQL-SOFIOUBHSA-N. The full InChI is InChI=1S/C35H34F6N4O3/c1-19-13-20(2)43(4)31(19)22-7-9-29(47-5)27(16-22)26-8-10-30(44-11-6-12-44)42-28(26)18-45-21(3)32(48-33(45)46)23-14-24(34(36,37)38)17-25(15-23)35(39,40)41/h7-10,13-17,21,32H,6,11-12,18H2,1-5H3/t21?,32-/m0/s1.
What are the key properties of (5R)-3-[[6-(azetidin-1-yl)-3-[2-methoxy-5-(1,3,5-trimethylpyrrol-2-yl)phenyl]-2-pyridinyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one?
(5R)-3-[[6-(azetidin-1-yl)-3-[2-methoxy-5-(1,3,5-trimethylpyrrol-2-yl)phenyl]-2-pyridinyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 672.67 g/mol, XLogP of 8.71, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[6-(azetidin-1-yl)-3-[2-methoxy-5-(1,3,5-trimethylpyrrol-2-yl)phenyl]-2-pyridinyl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 126691735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).