2-(cyclohexylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

C16H25N3O2 — CID 48953190

IUPAC2-(cyclohexylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCC2CC2CCCCC2)no1
InChIInChI=1S/C16H25N3O2/c1-12-10-15(18-21-12)17-16(20)19-9-5-8-14(19)11-13-6-3-2-4-7-13/h10,13-14H,2-9,11H2,1H3,(H,17,18,20)
InChIKeyKBYAIWOXYUFYRI-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.95
Rot. Bonds3

About 2-(cyclohexylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

2-(cyclohexylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 48953190) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID48953190
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-(cyclohexylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCC2CC2CCCCC2)no1
InChIInChI=1S/C16H25N3O2/c1-12-10-15(18-21-12)17-16(20)19-9-5-8-14(19)11-13-6-3-2-4-7-13/h10,13-14H,2-9,11H2,1H3,(H,17,18,20)
InChIKeyKBYAIWOXYUFYRI-UHFFFAOYSA-N
XLogP3.95
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 47125609
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 94182775
(2S)-2-[(2-chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 94651832
ethyl 1-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidine-3-carboxylate
CID 47014440
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60684790
1-(cyclohexanecarbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170922
1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170916
1-(2-cyclohexylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 6460835
2-[cyclohexyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 18078417
(2S)-2-(cyclohexylmethyl)-N-cyclopropylpyrrolidine-1-carboxamide
CID 94744585
2-(cyclohexylmethyl)-N-(3-ethylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 86973148
N-(cyclohexylmethyl)-5-methyl-1,2-oxazol-3-amine
CID 73349510

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(cyclohexylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (CID 48953190) is 2-(cyclohexylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(cyclohexylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(cyclohexylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is Cc1cc(NC(=O)N2CCCC2CC2CCCCC2)no1.
What is the InChIKey of 2-(cyclohexylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is KBYAIWOXYUFYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-10-15(18-21-12)17-16(20)19-9-5-8-14(19)11-13-6-3-2-4-7-13/h10,13-14H,2-9,11H2,1H3,(H,17,18,20).
What are the key properties of 2-(cyclohexylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
2-(cyclohexylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 48953190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).