(3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone

C21H26N2O2 — CID 92736234

IUPAC(3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc([C@H]2CCCN2C(=O)c2cc(C3CCCCC3)no2)cc1
InChIInChI=1S/C21H26N2O2/c1-15-9-11-17(12-10-15)19-8-5-13-23(19)21(24)20-14-18(22-25-20)16-6-3-2-4-7-16/h9-12,14,16,19H,2-8,13H2,1H3/t19-/m1/s1
InChIKeyBHPIXNRVZUMILW-LJQANCHMSA-N
MW338.45 g/mol
LogP5.01
Rot. Bonds3

About (3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone

(3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone (PubChem CID 92736234) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
PubChem CID92736234
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
SMILESCc1ccc([C@H]2CCCN2C(=O)c2cc(C3CCCCC3)no2)cc1
InChIInChI=1S/C21H26N2O2/c1-15-9-11-17(12-10-15)19-8-5-13-23(19)21(24)20-14-18(22-25-20)16-6-3-2-4-7-16/h9-12,14,16,19H,2-8,13H2,1H3/t19-/m1/s1
InChIKeyBHPIXNRVZUMILW-LJQANCHMSA-N
XLogP5.01
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclobutyl-1,2-oxazol-5-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 167972128
(3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731907
(3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone
CID 95834479
(5-ethyl-1,2-oxazol-3-yl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 92736228
(3-phenyl-1,2-oxazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 51081134
[6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 43070750
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856579
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856580
(3-cyclohexyl-1,2-oxazol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 125012998
[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 92736273
3-cyclopentyl-1,2-oxazole-5-carboxylic acid
CID 56828658
[2-(1-aminoethyl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 119435086

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone (CID 92736234) is (3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone is Cc1ccc([C@H]2CCCN2C(=O)c2cc(C3CCCCC3)no2)cc1.
What is the InChIKey of (3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is BHPIXNRVZUMILW-LJQANCHMSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-9-11-17(12-10-15)19-8-5-13-23(19)21(24)20-14-18(22-25-20)16-6-3-2-4-7-16/h9-12,14,16,19H,2-8,13H2,1H3/t19-/m1/s1.
What are the key properties of (3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone?
(3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 338.45 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92736234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).