2-cyclohex-2-en-1-yl-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide

C18H20N2O3 — CID 90177366

IUPAC2-cyclohex-2-en-1-yl-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide
SMILESCOc1cc(NC(=O)CC2C=CCCC2)ccc1-c1cnco1
InChIInChI=1S/C18H20N2O3/c1-22-16-10-14(7-8-15(16)17-11-19-12-23-17)20-18(21)9-13-5-3-2-4-6-13/h3,5,7-8,10-13H,2,4,6,9H2,1H3,(H,20,21)
InChIKeyABLMSRQBLHDHOL-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.04
Rot. Bonds5

About 2-cyclohex-2-en-1-yl-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide

2-cyclohex-2-en-1-yl-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide (PubChem CID 90177366) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yl-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yl-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide
PubChem CID90177366
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-cyclohex-2-en-1-yl-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide
SMILESCOc1cc(NC(=O)CC2C=CCCC2)ccc1-c1cnco1
InChIInChI=1S/C18H20N2O3/c1-22-16-10-14(7-8-15(16)17-11-19-12-23-17)20-18(21)9-13-5-3-2-4-6-13/h3,5,7-8,10-13H,2,4,6,9H2,1H3,(H,20,21)
InChIKeyABLMSRQBLHDHOL-UHFFFAOYSA-N
XLogP4.04
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766949
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide
CID 10338010
2-(3-hydroxy-6-methoxy-2,3-dihydro-1H-inden-1-yl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 123444013
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide
CID 90177469
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766799
N-(1,3-dioxolan-2-ylmethyl)-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766594
N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 43599907
cyclohexyl N-[[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]methyl]carbamate
CID 91800673
N'-[1-(cyclohexanecarbonylamino)-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766739
1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 12051287
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-(3-methylbutyl)oxamide
CID 20766963
N'-[1-[4-(3,3-dimethylbutanoylamino)phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766676

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-yl-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-cyclohex-2-en-1-yl-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide (CID 90177366) is 2-cyclohex-2-en-1-yl-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-cyclohex-2-en-1-yl-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-cyclohex-2-en-1-yl-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide is COc1cc(NC(=O)CC2C=CCCC2)ccc1-c1cnco1.
What is the InChIKey of 2-cyclohex-2-en-1-yl-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide?
The InChIKey is ABLMSRQBLHDHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-16-10-14(7-8-15(16)17-11-19-12-23-17)20-18(21)9-13-5-3-2-4-6-13/h3,5,7-8,10-13H,2,4,6,9H2,1H3,(H,20,21).
What are the key properties of 2-cyclohex-2-en-1-yl-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide?
2-cyclohex-2-en-1-yl-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide has a molecular weight of 312.37 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-yl-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 90177366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).