4-(3,4-difluorophenyl)-N-[1-[4-(2-methoxyphenyl)cyclohexyl]pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide

C27H31F2N3O4 — CID 21187693

IUPAC4-(3,4-difluorophenyl)-N-[1-[4-(2-methoxyphenyl)cyclohexyl]pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESCOc1ccccc1C1CCC(N2CCC(NC(=O)N3C(=O)OCC3c3ccc(F)c(F)c3)C2)CC1
InChIInChI=1S/C27H31F2N3O4/c1-35-25-5-3-2-4-21(25)17-6-9-20(10-7-17)31-13-12-19(15-31)30-26(33)32-24(16-36-27(32)34)18-8-11-22(28)23(29)14-18/h2-5,8,11,14,17,19-20,24H,6-7,9-10,12-13,15-16H2,1H3,(H,30,33)
InChIKeyDQBPGKCLPOLLRQ-UHFFFAOYSA-N
MW499.56 g/mol
LogP4.98
Rot. Bonds5

About 4-(3,4-difluorophenyl)-N-[1-[4-(2-methoxyphenyl)cyclohexyl]pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide

4-(3,4-difluorophenyl)-N-[1-[4-(2-methoxyphenyl)cyclohexyl]pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide (PubChem CID 21187693) has the molecular formula C27H31F2N3O4 and a molecular weight of 499.56 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-N-[1-[4-(2-methoxyphenyl)cyclohexyl]pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-N-[1-[4-(2-methoxyphenyl)cyclohexyl]pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide
PubChem CID21187693
Molecular FormulaC27H31F2N3O4
Molecular Weight499.56 g/mol
Exact Mass499.23
IUPAC Name4-(3,4-difluorophenyl)-N-[1-[4-(2-methoxyphenyl)cyclohexyl]pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESCOc1ccccc1C1CCC(N2CCC(NC(=O)N3C(=O)OCC3c3ccc(F)c(F)c3)C2)CC1
InChIInChI=1S/C27H31F2N3O4/c1-35-25-5-3-2-4-21(25)17-6-9-20(10-7-17)31-13-12-19(15-31)30-26(33)32-24(16-36-27(32)34)18-8-11-22(28)23(29)14-18/h2-5,8,11,14,17,19-20,24H,6-7,9-10,12-13,15-16H2,1H3,(H,30,33)
InChIKeyDQBPGKCLPOLLRQ-UHFFFAOYSA-N
XLogP4.98
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.56
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-N-[1-[4-(2-methoxyphenyl)cyclohexyl]pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide?
The IUPAC name of 4-(3,4-difluorophenyl)-N-[1-[4-(2-methoxyphenyl)cyclohexyl]pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide (CID 21187693) is 4-(3,4-difluorophenyl)-N-[1-[4-(2-methoxyphenyl)cyclohexyl]pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for 4-(3,4-difluorophenyl)-N-[1-[4-(2-methoxyphenyl)cyclohexyl]pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for 4-(3,4-difluorophenyl)-N-[1-[4-(2-methoxyphenyl)cyclohexyl]pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide is COc1ccccc1C1CCC(N2CCC(NC(=O)N3C(=O)OCC3c3ccc(F)c(F)c3)C2)CC1.
What is the InChIKey of 4-(3,4-difluorophenyl)-N-[1-[4-(2-methoxyphenyl)cyclohexyl]pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide?
The InChIKey is DQBPGKCLPOLLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N3O4/c1-35-25-5-3-2-4-21(25)17-6-9-20(10-7-17)31-13-12-19(15-31)30-26(33)32-24(16-36-27(32)34)18-8-11-22(28)23(29)14-18/h2-5,8,11,14,17,19-20,24H,6-7,9-10,12-13,15-16H2,1H3,(H,30,33).
What are the key properties of 4-(3,4-difluorophenyl)-N-[1-[4-(2-methoxyphenyl)cyclohexyl]pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide?
4-(3,4-difluorophenyl)-N-[1-[4-(2-methoxyphenyl)cyclohexyl]pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide has a molecular weight of 499.56 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-N-[1-[4-(2-methoxyphenyl)cyclohexyl]pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 21187693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).