(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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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).