(2R)-1-(cyclohexanecarbonyl)-N-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2-carboxamide

C21H25N3O3 — CID 95350172

IUPAC(2R)-1-(cyclohexanecarbonyl)-N-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-c2cnco2)c1)[C@H]1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C21H25N3O3/c25-20(23-17-9-4-8-16(12-17)19-13-22-14-27-19)18-10-5-11-24(18)21(26)15-6-2-1-3-7-15/h4,8-9,12-15,18H,1-3,5-7,10-11H2,(H,23,25)/t18-/m1/s1
InChIKeyBHZFJIONAPVVRD-GOSISDBHSA-N
MW367.45 g/mol
LogP3.85
Rot. Bonds4

About (2R)-1-(cyclohexanecarbonyl)-N-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2-carboxamide

(2R)-1-(cyclohexanecarbonyl)-N-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 95350172) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (2R)-1-(cyclohexanecarbonyl)-N-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(cyclohexanecarbonyl)-N-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID95350172
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(2R)-1-(cyclohexanecarbonyl)-N-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-c2cnco2)c1)[C@H]1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C21H25N3O3/c25-20(23-17-9-4-8-16(12-17)19-13-22-14-27-19)18-10-5-11-24(18)21(26)15-6-2-1-3-7-15/h4,8-9,12-15,18H,1-3,5-7,10-11H2,(H,23,25)/t18-/m1/s1
InChIKeyBHZFJIONAPVVRD-GOSISDBHSA-N
XLogP3.85
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 55741021
(2R)-1-(cyclohexanecarbonyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 52538335
2-amino-N-[3-(1,3-oxazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 64823770
1-cyclohexyl-1-methyl-3-[3-(1,3-oxazol-5-yl)phenyl]urea
CID 72886720
9-amino-N-[3-(1,3-oxazol-5-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986715
N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide
CID 166197699
(2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-1-carboxamide
CID 125179035
2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-1-carboxamide
CID 118789446
(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-1-carboxamide
CID 97281863
1-[2-[3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopiperidin-1-yl]acetyl]-N-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 20580829
1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 55741414
1-naphthalen-2-ylsulfonyl-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide
CID 55834624

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclohexanecarbonyl)-N-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(cyclohexanecarbonyl)-N-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2-carboxamide (CID 95350172) is (2R)-1-(cyclohexanecarbonyl)-N-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(cyclohexanecarbonyl)-N-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(cyclohexanecarbonyl)-N-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1cccc(-c2cnco2)c1)[C@H]1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of (2R)-1-(cyclohexanecarbonyl)-N-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is BHZFJIONAPVVRD-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-20(23-17-9-4-8-16(12-17)19-13-22-14-27-19)18-10-5-11-24(18)21(26)15-6-2-1-3-7-15/h4,8-9,12-15,18H,1-3,5-7,10-11H2,(H,23,25)/t18-/m1/s1.
What are the key properties of (2R)-1-(cyclohexanecarbonyl)-N-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2-carboxamide?
(2R)-1-(cyclohexanecarbonyl)-N-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclohexanecarbonyl)-N-[3-(1,3-oxazol-5-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 95350172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).