(4S,5S)-4-(3,4-difluorophenyl)-5-methyl-2-oxo-N-[[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]methyl]-1,3-oxazolidine-3-carboxamide

C26H30F2N4O3 — CID 54304282

IUPAC(4S,5S)-4-(3,4-difluorophenyl)-5-methyl-2-oxo-N-[[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]methyl]-1,3-oxazolidine-3-carboxamide
SMILESC[C@@H]1OC(=O)N(C(=O)NCC2CN(C3CCC(c4ccccn4)CC3)C2)[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C26H30F2N4O3/c1-16-24(19-7-10-21(27)22(28)12-19)32(26(34)35-16)25(33)30-13-17-14-31(15-17)20-8-5-18(6-9-20)23-4-2-3-11-29-23/h2-4,7,10-12,16-18,20,24H,5-6,8-9,13-15H2,1H3,(H,30,33)/t16-,18?,20?,24+/m0/s1
InChIKeySGKJJRGHCDWJMT-DAWVBELTSA-N
MW484.55 g/mol
LogP4.61
Rot. Bonds5

About (4S,5S)-4-(3,4-difluorophenyl)-5-methyl-2-oxo-N-[[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]methyl]-1,3-oxazolidine-3-carboxamide

(4S,5S)-4-(3,4-difluorophenyl)-5-methyl-2-oxo-N-[[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]methyl]-1,3-oxazolidine-3-carboxamide (PubChem CID 54304282) has the molecular formula C26H30F2N4O3 and a molecular weight of 484.55 g/mol. Its IUPAC name is (4S,5S)-4-(3,4-difluorophenyl)-5-methyl-2-oxo-N-[[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]methyl]-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(4S,5S)-4-(3,4-difluorophenyl)-5-methyl-2-oxo-N-[[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]methyl]-1,3-oxazolidine-3-carboxamide
PubChem CID54304282
Molecular FormulaC26H30F2N4O3
Molecular Weight484.55 g/mol
Exact Mass484.23
IUPAC Name(4S,5S)-4-(3,4-difluorophenyl)-5-methyl-2-oxo-N-[[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]methyl]-1,3-oxazolidine-3-carboxamide
SMILESC[C@@H]1OC(=O)N(C(=O)NCC2CN(C3CCC(c4ccccn4)CC3)C2)[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C26H30F2N4O3/c1-16-24(19-7-10-21(27)22(28)12-19)32(26(34)35-16)25(33)30-13-17-14-31(15-17)20-8-5-18(6-9-20)23-4-2-3-11-29-23/h2-4,7,10-12,16-18,20,24H,5-6,8-9,13-15H2,1H3,(H,30,33)/t16-,18?,20?,24+/m0/s1
InChIKeySGKJJRGHCDWJMT-DAWVBELTSA-N
XLogP4.61
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S,5S)-4-(3,4-difluorophenyl)-5-methyl-2-oxo-N-[[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]methyl]-1,3-oxazolidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(3,4-difluorophenyl)-5-methyl-2-oxo-N-[[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]methyl]-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (4S,5S)-4-(3,4-difluorophenyl)-5-methyl-2-oxo-N-[[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]methyl]-1,3-oxazolidine-3-carboxamide (CID 54304282) is (4S,5S)-4-(3,4-difluorophenyl)-5-methyl-2-oxo-N-[[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]methyl]-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (4S,5S)-4-(3,4-difluorophenyl)-5-methyl-2-oxo-N-[[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]methyl]-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (4S,5S)-4-(3,4-difluorophenyl)-5-methyl-2-oxo-N-[[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]methyl]-1,3-oxazolidine-3-carboxamide is C[C@@H]1OC(=O)N(C(=O)NCC2CN(C3CCC(c4ccccn4)CC3)C2)[C@H]1c1ccc(F)c(F)c1.
What is the InChIKey of (4S,5S)-4-(3,4-difluorophenyl)-5-methyl-2-oxo-N-[[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]methyl]-1,3-oxazolidine-3-carboxamide?
The InChIKey is SGKJJRGHCDWJMT-DAWVBELTSA-N. The full InChI is InChI=1S/C26H30F2N4O3/c1-16-24(19-7-10-21(27)22(28)12-19)32(26(34)35-16)25(33)30-13-17-14-31(15-17)20-8-5-18(6-9-20)23-4-2-3-11-29-23/h2-4,7,10-12,16-18,20,24H,5-6,8-9,13-15H2,1H3,(H,30,33)/t16-,18?,20?,24+/m0/s1.
What are the key properties of (4S,5S)-4-(3,4-difluorophenyl)-5-methyl-2-oxo-N-[[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]methyl]-1,3-oxazolidine-3-carboxamide?
(4S,5S)-4-(3,4-difluorophenyl)-5-methyl-2-oxo-N-[[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]methyl]-1,3-oxazolidine-3-carboxamide has a molecular weight of 484.55 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(3,4-difluorophenyl)-5-methyl-2-oxo-N-[[1-(4-pyridin-2-ylcyclohexyl)azetidin-3-yl]methyl]-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 54304282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).