N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide

C16H18N2O3 — CID 78811217

IUPACN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cc(C)no2)C2CC2)cc1
InChIInChI=1S/C16H18N2O3/c1-11-9-15(21-17-11)16(19)18(13-5-6-13)10-12-3-7-14(20-2)8-4-12/h3-4,7-9,13H,5-6,10H2,1-2H3
InChIKeyXCICTVUTTLXFEI-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.80
Rot. Bonds5

About N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 78811217) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID78811217
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cc(C)no2)C2CC2)cc1
InChIInChI=1S/C16H18N2O3/c1-11-9-15(21-17-11)16(19)18(13-5-6-13)10-12-3-7-14(20-2)8-4-12/h3-4,7-9,13H,5-6,10H2,1-2H3
InChIKeyXCICTVUTTLXFEI-UHFFFAOYSA-N
XLogP2.80
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-methylfuran-3-carboxamide
CID 78811219
N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94824957
4-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 78811592
4-(aminomethyl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 119272533
methyl 4-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]benzoate
CID 9298633
N-cyclopropyl-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 51079314
N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 86907274
3,5-diacetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]benzamide
CID 39966520
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 62045651
5-(1,5-dimethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 46968967
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8770322
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31908536

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 78811217) is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide is COc1ccc(CN(C(=O)c2cc(C)no2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is XCICTVUTTLXFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-9-15(21-17-11)16(19)18(13-5-6-13)10-12-3-7-14(20-2)8-4-12/h3-4,7-9,13H,5-6,10H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 78811217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).