[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-cyclohexylphenyl)methanone

C21H27N3O2 — CID 166483062

IUPAC[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-cyclohexylphenyl)methanone
SMILESNc1cc(C2CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)no1
InChIInChI=1S/C21H27N3O2/c22-20-14-19(23-26-20)17-10-12-24(13-11-17)21(25)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h6-9,14-15,17H,1-5,10-13,22H2
InChIKeyRIQOTQNBEBZYFV-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.32
Rot. Bonds3

About [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-cyclohexylphenyl)methanone

[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-cyclohexylphenyl)methanone (PubChem CID 166483062) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-cyclohexylphenyl)methanone.

Molecular Properties

Compound Name[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-cyclohexylphenyl)methanone
PubChem CID166483062
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-cyclohexylphenyl)methanone
SMILESNc1cc(C2CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)no1
InChIInChI=1S/C21H27N3O2/c22-20-14-19(23-26-20)17-10-12-24(13-11-17)21(25)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h6-9,14-15,17H,1-5,10-13,22H2
InChIKeyRIQOTQNBEBZYFV-UHFFFAOYSA-N
XLogP4.32
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-(5-amino-1,2-oxazol-3-yl)piperidine-1-carbonyl]phenyl]-hydroxy-methyl-sulfanylazanium
CID 166483236
4-[4-(5-amino-1,2-oxazol-3-yl)piperidine-1-carbonyl]-2-chlorobenzonitrile
CID 166483342
(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688
(4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride
CID 119372876
(4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 86877330
1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone
CID 110761379
[3-(5-amino-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[3-phosphanyl-4-(trifluoromethyl)phenyl]methanone
CID 166483329
1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-phenoxyethanone
CID 53146553
4-(5-amino-1,2-oxazol-3-yl)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 53146638
1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 171136536
(E)-1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-3-(3-chlorophenyl)prop-2-en-1-one
CID 53146531
N-tert-butyl-4-(4-cyclohexylbenzoyl)piperazine-1-carboxamide
CID 110812367

Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-cyclohexylphenyl)methanone?
The IUPAC name of [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-cyclohexylphenyl)methanone (CID 166483062) is [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-cyclohexylphenyl)methanone.
What is the SMILES notation for [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-cyclohexylphenyl)methanone?
The canonical SMILES for [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-cyclohexylphenyl)methanone is Nc1cc(C2CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)no1.
What is the InChIKey of [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-cyclohexylphenyl)methanone?
The InChIKey is RIQOTQNBEBZYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c22-20-14-19(23-26-20)17-10-12-24(13-11-17)21(25)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h6-9,14-15,17H,1-5,10-13,22H2.
What are the key properties of [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-cyclohexylphenyl)methanone?
[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-cyclohexylphenyl)methanone has a molecular weight of 353.47 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-(4-cyclohexylphenyl)methanone is sourced from PubChem (CID 166483062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).