3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)propanamide

C18H17ClN2O5 — CID 9255702

IUPAC3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc(OC)c1
InChIInChI=1S/C18H17ClN2O5/c1-24-13-8-12(9-14(10-13)25-2)20-17(22)5-6-21-15-4-3-11(19)7-16(15)26-18(21)23/h3-4,7-10H,5-6H2,1-2H3,(H,20,22)
InChIKeyVGCCESPOAQDROL-UHFFFAOYSA-N
MW376.80 g/mol
LogP3.29
Rot. Bonds6

About 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)propanamide

3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)propanamide (PubChem CID 9255702) has the molecular formula C18H17ClN2O5 and a molecular weight of 376.80 g/mol. Its IUPAC name is 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)propanamide
PubChem CID9255702
Molecular FormulaC18H17ClN2O5
Molecular Weight376.80 g/mol
Exact Mass376.08
IUPAC Name3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc(OC)c1
InChIInChI=1S/C18H17ClN2O5/c1-24-13-8-12(9-14(10-13)25-2)20-17(22)5-6-21-15-4-3-11(19)7-16(15)26-18(21)23/h3-4,7-10H,5-6H2,1-2H3,(H,20,22)
InChIKeyVGCCESPOAQDROL-UHFFFAOYSA-N
XLogP3.29
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-methoxyphenyl)propanamide
CID 9138610
N-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7992559
methyl 4-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate
CID 9138841
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide
CID 9225411
ethyl 3-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate
CID 9228382
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-quinolin-3-ylpropanamide
CID 18146539
methyl (2S)-2-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-3-hydroxypropanoate
CID 9278128
1-(3,5-dimethoxyphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797367
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 17308490
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
CID 18151405
ethyl 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 121014059
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 9425254

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)propanamide (CID 9255702) is 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)propanamide is COc1cc(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cc(OC)c1.
What is the InChIKey of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)propanamide?
The InChIKey is VGCCESPOAQDROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O5/c1-24-13-8-12(9-14(10-13)25-2)20-17(22)5-6-21-15-4-3-11(19)7-16(15)26-18(21)23/h3-4,7-10H,5-6H2,1-2H3,(H,20,22).
What are the key properties of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)propanamide?
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)propanamide has a molecular weight of 376.80 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 9255702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).