N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C18H24N2O4 — CID 75461339

IUPACN-[1-(3-methoxy-4-propoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCCOc1ccc(C(C)NC(=O)c2c(C)noc2C)cc1OC
InChIInChI=1S/C18H24N2O4/c1-6-9-23-15-8-7-14(10-16(15)22-5)11(2)19-18(21)17-12(3)20-24-13(17)4/h7-8,10-11H,6,9H2,1-5H3,(H,19,21)
InChIKeyQHBTWBJGBMKWPD-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.58
Rot. Bonds7

About N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 75461339) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxy-4-propoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID75461339
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-[1-(3-methoxy-4-propoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCCOc1ccc(C(C)NC(=O)c2c(C)noc2C)cc1OC
InChIInChI=1S/C18H24N2O4/c1-6-9-23-15-8-7-14(10-16(15)22-5)11(2)19-18(21)17-12(3)20-24-13(17)4/h7-8,10-11H,6,9H2,1-5H3,(H,19,21)
InChIKeyQHBTWBJGBMKWPD-UHFFFAOYSA-N
XLogP3.58
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 55797617
N-[1-(3,4-dimethylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2970413
N-[1-(4-butan-2-ylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17249884
1-[(1R)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94031272
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide
CID 46418044
N-[1-(4-tert-butylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17218074
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 51954351
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3,5-dimethylbenzamide
CID 55748439
4-[1-(4-butoxy-3-methoxyphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119181722
3,5-dimethyl-N-(1-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 3632907
N-[(3-methoxy-4-propoxyphenyl)-(3-methylbutanoylamino)methyl]-3-methylbutanamide
CID 3658845

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 75461339) is N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is CCCOc1ccc(C(C)NC(=O)c2c(C)noc2C)cc1OC.
What is the InChIKey of N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is QHBTWBJGBMKWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-6-9-23-15-8-7-14(10-16(15)22-5)11(2)19-18(21)17-12(3)20-24-13(17)4/h7-8,10-11H,6,9H2,1-5H3,(H,19,21).
What are the key properties of N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 75461339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).