(5-cyclopropyl-1,2-oxazol-3-yl)-(3-phenylazepan-1-yl)methanone

C19H22N2O2 — CID 90608568

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-(3-phenylazepan-1-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCCCC(c2ccccc2)C1
InChIInChI=1S/C19H22N2O2/c22-19(17-12-18(23-20-17)15-9-10-15)21-11-5-4-8-16(13-21)14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2
InChIKeyPAMRZPNYWBZWAR-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.96
Rot. Bonds3

About (5-cyclopropyl-1,2-oxazol-3-yl)-(3-phenylazepan-1-yl)methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-(3-phenylazepan-1-yl)methanone (PubChem CID 90608568) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-(3-phenylazepan-1-yl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-(3-phenylazepan-1-yl)methanone
PubChem CID90608568
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-(3-phenylazepan-1-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCCCC(c2ccccc2)C1
InChIInChI=1S/C19H22N2O2/c22-19(17-12-18(23-20-17)15-9-10-15)21-11-5-4-8-16(13-21)14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2
InChIKeyPAMRZPNYWBZWAR-UHFFFAOYSA-N
XLogP3.96
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-phenylpyrrolidin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 146230169
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone
CID 90608578
[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 95220559
(3-phenylazepan-1-yl)-quinolin-2-ylmethanone
CID 90608386
(1-methyltriazol-4-yl)-(3-phenylazepan-1-yl)methanone
CID 90608567
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 34229533
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63104546
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 90505051
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methyl-4-phenylpiperidin-1-yl)methanone
CID 119042881
furan-2-yl-(3-phenylazepan-1-yl)methanone
CID 90608497
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334382
N-cyclohexyl-5-cyclopropyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 56962223

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-(3-phenylazepan-1-yl)methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-(3-phenylazepan-1-yl)methanone (CID 90608568) is (5-cyclopropyl-1,2-oxazol-3-yl)-(3-phenylazepan-1-yl)methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-(3-phenylazepan-1-yl)methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-(3-phenylazepan-1-yl)methanone is O=C(c1cc(C2CC2)on1)N1CCCCC(c2ccccc2)C1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-(3-phenylazepan-1-yl)methanone?
The InChIKey is PAMRZPNYWBZWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-19(17-12-18(23-20-17)15-9-10-15)21-11-5-4-8-16(13-21)14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-(3-phenylazepan-1-yl)methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-phenylazepan-1-yl)methanone has a molecular weight of 310.40 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-(3-phenylazepan-1-yl)methanone is sourced from PubChem (CID 90608568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).