N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C25H29N3O3 — CID 42272190

IUPACN-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCC(C)CC2)cc1
InChIInChI=1S/C25H29N3O3/c1-18-12-14-28(15-13-18)23(19-8-10-21(30-2)11-9-19)17-26-25(29)22-16-24(31-27-22)20-6-4-3-5-7-20/h3-11,16,18,23H,12-15,17H2,1-2H3,(H,26,29)/t23-/m0/s1
InChIKeyDFNXMISIOYONMR-QHCPKHFHSA-N
MW419.53 g/mol
LogP4.55
Rot. Bonds7

About N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 42272190) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID42272190
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCC(C)CC2)cc1
InChIInChI=1S/C25H29N3O3/c1-18-12-14-28(15-13-18)23(19-8-10-21(30-2)11-9-19)17-26-25(29)22-16-24(31-27-22)20-6-4-3-5-7-20/h3-11,16,18,23H,12-15,17H2,1-2H3,(H,26,29)/t23-/m0/s1
InChIKeyDFNXMISIOYONMR-QHCPKHFHSA-N
XLogP4.55
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 17016119
5-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide
CID 17016180
5-(4-methoxyphenyl)-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 45155419
5-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 45133034
N-[(2R)-2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 42272210
5-(4-methoxyphenyl)-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 45132937
5-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 50754362
5-(1,5-dimethylpyrazol-4-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,2-oxazole-3-carboxamide
CID 46957710
5-(4-ethoxyphenyl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 39866513
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 43843486
5-[4-(2-methylpropoxy)phenyl]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 35582755
5-[4-(2-methylpropoxy)phenyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 35582758

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 42272190) is N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is COc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)N2CCC(C)CC2)cc1.
What is the InChIKey of N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is DFNXMISIOYONMR-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-18-12-14-28(15-13-18)23(19-8-10-21(30-2)11-9-19)17-26-25(29)22-16-24(31-27-22)20-6-4-3-5-7-20/h3-11,16,18,23H,12-15,17H2,1-2H3,(H,26,29)/t23-/m0/s1.
What are the key properties of N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42272190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).