N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide

C19H22N2O3 — CID 71802492

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cc(OCc2ccccc2)no1
InChIInChI=1S/C19H22N2O3/c22-19(20-12-11-15-7-3-1-4-8-15)17-13-18(21-24-17)23-14-16-9-5-2-6-10-16/h2,5-7,9-10,13H,1,3-4,8,11-12,14H2,(H,20,22)
InChIKeyYRPAHZXQEZIMOS-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.87
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide (PubChem CID 71802492) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide
PubChem CID71802492
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cc(OCc2ccccc2)no1
InChIInChI=1S/C19H22N2O3/c22-19(20-12-11-15-7-3-1-4-8-15)17-13-18(21-24-17)23-14-16-9-5-2-6-10-16/h2,5-7,9-10,13H,1,3-4,8,11-12,14H2,(H,20,22)
InChIKeyYRPAHZXQEZIMOS-UHFFFAOYSA-N
XLogP3.87
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide (CID 71802492) is N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide is O=C(NCCC1=CCCCC1)c1cc(OCc2ccccc2)no1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
The InChIKey is YRPAHZXQEZIMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-19(20-12-11-15-7-3-1-4-8-15)17-13-18(21-24-17)23-14-16-9-5-2-6-10-16/h2,5-7,9-10,13H,1,3-4,8,11-12,14H2,(H,20,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71802492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).