N-(5-chloro-2-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide

C21H15ClN2O3 — CID 6489760

IUPACN-(5-chloro-2-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ncoc1-c1ccc2ccccc2c1
InChIInChI=1S/C21H15ClN2O3/c1-26-18-9-8-16(22)11-17(18)24-21(25)19-20(27-12-23-19)15-7-6-13-4-2-3-5-14(13)10-15/h2-12H,1H3,(H,24,25)
InChIKeyAEYFIRMKTVLNHG-UHFFFAOYSA-N
MW378.82 g/mol
LogP5.41
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 6489760) has the molecular formula C21H15ClN2O3 and a molecular weight of 378.82 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID6489760
Molecular FormulaC21H15ClN2O3
Molecular Weight378.82 g/mol
Exact Mass378.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ncoc1-c1ccc2ccccc2c1
InChIInChI=1S/C21H15ClN2O3/c1-26-18-9-8-16(22)11-17(18)24-21(25)19-20(27-12-23-19)15-7-6-13-4-2-3-5-14(13)10-15/h2-12H,1H3,(H,24,25)
InChIKeyAEYFIRMKTVLNHG-UHFFFAOYSA-N
XLogP5.41
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.82
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethoxyphenyl)-N-naphthalen-1-yl-1,3-oxazole-4-carboxamide
CID 126471311
N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963819
N-(2,5-dimethoxyphenyl)-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 20963718
N-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963534
5-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 20963811
5-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-oxazole-4-carboxamide
CID 20963550
N-(5-chloro-2-methoxyphenyl)quinoline-2-carboxamide
CID 2111763
N-(5-chloro-2-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110685071
5-(3,4-dimethoxyphenyl)-N-(3,5-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963825
5-(3,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 20963840
5-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 20963827
5-(3,4-dimethoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 126468364

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide (CID 6489760) is N-(5-chloro-2-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide is COc1ccc(Cl)cc1NC(=O)c1ncoc1-c1ccc2ccccc2c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is AEYFIRMKTVLNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O3/c1-26-18-9-8-16(22)11-17(18)24-21(25)19-20(27-12-23-19)15-7-6-13-4-2-3-5-14(13)10-15/h2-12H,1H3,(H,24,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 378.82 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 6489760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).