(5R)-3-[4-(difluoromethoxy)phenyl]-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one

C24H25F2N5O4 — CID 66953797

IUPAC(5R)-3-[4-(difluoromethoxy)phenyl]-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(N3CC(N(C)C[C@@H]4CN(c5ccc(OC(F)F)cc5)C(=O)O4)C3)c2n1
InChIInChI=1S/C24H25F2N5O4/c1-29(13-18-14-31(24(32)35-18)15-3-5-17(6-4-15)34-23(25)26)16-11-30(12-16)20-9-10-27-19-7-8-21(33-2)28-22(19)20/h3-10,16,18,23H,11-14H2,1-2H3/t18-/m1/s1
InChIKeyAYAPTNUKHNABRR-GOSISDBHSA-N
MW485.49 g/mol
LogP3.39
Rot. Bonds8

About (5R)-3-[4-(difluoromethoxy)phenyl]-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one

(5R)-3-[4-(difluoromethoxy)phenyl]-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one (PubChem CID 66953797) has the molecular formula C24H25F2N5O4 and a molecular weight of 485.49 g/mol. Its IUPAC name is (5R)-3-[4-(difluoromethoxy)phenyl]-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[4-(difluoromethoxy)phenyl]-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one
PubChem CID66953797
Molecular FormulaC24H25F2N5O4
Molecular Weight485.49 g/mol
Exact Mass485.19
IUPAC Name(5R)-3-[4-(difluoromethoxy)phenyl]-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(N3CC(N(C)C[C@@H]4CN(c5ccc(OC(F)F)cc5)C(=O)O4)C3)c2n1
InChIInChI=1S/C24H25F2N5O4/c1-29(13-18-14-31(24(32)35-18)15-3-5-17(6-4-15)34-23(25)26)16-11-30(12-16)20-9-10-27-19-7-8-21(33-2)28-22(19)20/h3-10,16,18,23H,11-14H2,1-2H3/t18-/m1/s1
InChIKeyAYAPTNUKHNABRR-GOSISDBHSA-N
XLogP3.39
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.49
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (5R)-3-[4-(difluoromethoxy)phenyl]-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]amino]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 66954645
(5R)-3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one
CID 66954178
3-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-yl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one
CID 66954180
(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 25097709
5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 66954338
3-(4-ethoxyphenyl)-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-1,3-oxazolidin-2-one
CID 66954206
5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 66954527
(5R)-3-(3-fluoro-4-methylphenyl)-5-[[[(1S,5R)-3-(6-methoxy-1,5-naphthyridin-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-1,3-oxazolidin-2-one
CID 25096931
(5S)-3-(3-fluoro-4-methylphenyl)-5-[2-[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one
CID 66953920
N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)-N-methylprop-2-enamide
CID 66737449
(5R)-5-[[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 25097429
6-[5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
CID 66954463

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-(difluoromethoxy)phenyl]-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[4-(difluoromethoxy)phenyl]-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one (CID 66953797) is (5R)-3-[4-(difluoromethoxy)phenyl]-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[4-(difluoromethoxy)phenyl]-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[4-(difluoromethoxy)phenyl]-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one is COc1ccc2nccc(N3CC(N(C)C[C@@H]4CN(c5ccc(OC(F)F)cc5)C(=O)O4)C3)c2n1.
What is the InChIKey of (5R)-3-[4-(difluoromethoxy)phenyl]-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one?
The InChIKey is AYAPTNUKHNABRR-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25F2N5O4/c1-29(13-18-14-31(24(32)35-18)15-3-5-17(6-4-15)34-23(25)26)16-11-30(12-16)20-9-10-27-19-7-8-21(33-2)28-22(19)20/h3-10,16,18,23H,11-14H2,1-2H3/t18-/m1/s1.
What are the key properties of (5R)-3-[4-(difluoromethoxy)phenyl]-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one?
(5R)-3-[4-(difluoromethoxy)phenyl]-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one has a molecular weight of 485.49 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-(difluoromethoxy)phenyl]-5-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]-methylamino]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66953797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).