5-(3-chloro-4-methoxyphenyl)-N-propyl-1,3-oxazole-4-carboxamide

C14H15ClN2O3 — CID 122597246

IUPAC5-(3-chloro-4-methoxyphenyl)-N-propyl-1,3-oxazole-4-carboxamide
SMILESCCCNC(=O)c1ncoc1-c1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H15ClN2O3/c1-3-6-16-14(18)12-13(20-8-17-12)9-4-5-11(19-2)10(15)7-9/h4-5,7-8H,3,6H2,1-2H3,(H,16,18)
InChIKeyWFYHLSYCZORLLQ-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.14
Rot. Bonds5

About 5-(3-chloro-4-methoxyphenyl)-N-propyl-1,3-oxazole-4-carboxamide

5-(3-chloro-4-methoxyphenyl)-N-propyl-1,3-oxazole-4-carboxamide (PubChem CID 122597246) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyphenyl)-N-propyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyphenyl)-N-propyl-1,3-oxazole-4-carboxamide
PubChem CID122597246
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name5-(3-chloro-4-methoxyphenyl)-N-propyl-1,3-oxazole-4-carboxamide
SMILESCCCNC(=O)c1ncoc1-c1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H15ClN2O3/c1-3-6-16-14(18)12-13(20-8-17-12)9-4-5-11(19-2)10(15)7-9/h4-5,7-8H,3,6H2,1-2H3,(H,16,18)
InChIKeyWFYHLSYCZORLLQ-UHFFFAOYSA-N
XLogP3.14
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 19768719
N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963819
5-(3,4-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 20963848
5-(3,4-dimethoxyphenyl)-N-(3,5-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963825
N-(5-chloro-2-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide
CID 6489760
5-(3,4-dimethoxyphenyl)-N-naphthalen-1-yl-1,3-oxazole-4-carboxamide
CID 126471311
5-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 20963811
5-(3,4-dimethoxyphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,3-oxazole-4-carboxamide
CID 51492693
N-[2-(methylamino)ethyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide;dihydrochloride
CID 119502119
5-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)-1,3-oxazole-4-carboxamide
CID 6489736
N-[2-(furan-2-yl)ethyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 46958823
3-amino-4-(3-chloro-4-methoxyanilino)-N-propylbenzamide
CID 100631228

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyphenyl)-N-propyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(3-chloro-4-methoxyphenyl)-N-propyl-1,3-oxazole-4-carboxamide (CID 122597246) is 5-(3-chloro-4-methoxyphenyl)-N-propyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-methoxyphenyl)-N-propyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(3-chloro-4-methoxyphenyl)-N-propyl-1,3-oxazole-4-carboxamide is CCCNC(=O)c1ncoc1-c1ccc(OC)c(Cl)c1.
What is the InChIKey of 5-(3-chloro-4-methoxyphenyl)-N-propyl-1,3-oxazole-4-carboxamide?
The InChIKey is WFYHLSYCZORLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-3-6-16-14(18)12-13(20-8-17-12)9-4-5-11(19-2)10(15)7-9/h4-5,7-8H,3,6H2,1-2H3,(H,16,18).
What are the key properties of 5-(3-chloro-4-methoxyphenyl)-N-propyl-1,3-oxazole-4-carboxamide?
5-(3-chloro-4-methoxyphenyl)-N-propyl-1,3-oxazole-4-carboxamide has a molecular weight of 294.74 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyphenyl)-N-propyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 122597246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).