N-[5-(5-chloro-2,4-dihydroxyphenyl)-1,2-oxazol-4-yl]-4-methoxybenzamide

C17H13ClN2O5 — CID 144926501

IUPACN-[5-(5-chloro-2,4-dihydroxyphenyl)-1,2-oxazol-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cnoc2-c2cc(Cl)c(O)cc2O)cc1
InChIInChI=1S/C17H13ClN2O5/c1-24-10-4-2-9(3-5-10)17(23)20-13-8-19-25-16(13)11-6-12(18)15(22)7-14(11)21/h2-8,21-22H,1H3,(H,20,23)
InChIKeyFPJGLHCJIHVRRU-UHFFFAOYSA-N
MW360.75 g/mol
LogP3.67
Rot. Bonds4

About N-[5-(5-chloro-2,4-dihydroxyphenyl)-1,2-oxazol-4-yl]-4-methoxybenzamide

N-[5-(5-chloro-2,4-dihydroxyphenyl)-1,2-oxazol-4-yl]-4-methoxybenzamide (PubChem CID 144926501) has the molecular formula C17H13ClN2O5 and a molecular weight of 360.75 g/mol. Its IUPAC name is N-[5-(5-chloro-2,4-dihydroxyphenyl)-1,2-oxazol-4-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(5-chloro-2,4-dihydroxyphenyl)-1,2-oxazol-4-yl]-4-methoxybenzamide
PubChem CID144926501
Molecular FormulaC17H13ClN2O5
Molecular Weight360.75 g/mol
Exact Mass360.05
IUPAC NameN-[5-(5-chloro-2,4-dihydroxyphenyl)-1,2-oxazol-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cnoc2-c2cc(Cl)c(O)cc2O)cc1
InChIInChI=1S/C17H13ClN2O5/c1-24-10-4-2-9(3-5-10)17(23)20-13-8-19-25-16(13)11-6-12(18)15(22)7-14(11)21/h2-8,21-22H,1H3,(H,20,23)
InChIKeyFPJGLHCJIHVRRU-UHFFFAOYSA-N
XLogP3.67
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.75
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-4-hydroxyphenyl)-4-methoxybenzamide;N-(2-chloro-4-methoxyphenyl)-4-methoxybenzamide
CID 86605166
N-(2-chloro-4-iodophenyl)-4-methoxybenzamide
CID 1370705
N-(2,4-dihydroxyphenyl)-4-methoxybenzamide
CID 141075428
N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 1254136
N-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxamide
CID 110649994
4-chloro-3-[(4-methoxybenzoyl)amino]benzenesulfonic acid
CID 139946899
5-chloro-2-methoxy-4-[(4-methoxybenzoyl)amino]benzoic acid
CID 45429951
4-methoxy-N-(4-phenyl-1,2-oxazol-5-yl)benzamide
CID 110402060
4-chloro-2-[(4-methoxybenzoyl)amino]-5-methylbenzoic acid
CID 46916164
N-(4-amino-2,6-dichlorophenyl)-4-methoxybenzamide
CID 16774813
5-(5-chloro-2,4-dihydroxyphenyl)-N-(2-fluoroethyl)-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 143528322
4-bromo-N-(2-chloro-5-methoxyphenyl)-3-hydroxybenzamide
CID 103956729

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-2,4-dihydroxyphenyl)-1,2-oxazol-4-yl]-4-methoxybenzamide?
The IUPAC name of N-[5-(5-chloro-2,4-dihydroxyphenyl)-1,2-oxazol-4-yl]-4-methoxybenzamide (CID 144926501) is N-[5-(5-chloro-2,4-dihydroxyphenyl)-1,2-oxazol-4-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-(5-chloro-2,4-dihydroxyphenyl)-1,2-oxazol-4-yl]-4-methoxybenzamide?
The canonical SMILES for N-[5-(5-chloro-2,4-dihydroxyphenyl)-1,2-oxazol-4-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cnoc2-c2cc(Cl)c(O)cc2O)cc1.
What is the InChIKey of N-[5-(5-chloro-2,4-dihydroxyphenyl)-1,2-oxazol-4-yl]-4-methoxybenzamide?
The InChIKey is FPJGLHCJIHVRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O5/c1-24-10-4-2-9(3-5-10)17(23)20-13-8-19-25-16(13)11-6-12(18)15(22)7-14(11)21/h2-8,21-22H,1H3,(H,20,23).
What are the key properties of N-[5-(5-chloro-2,4-dihydroxyphenyl)-1,2-oxazol-4-yl]-4-methoxybenzamide?
N-[5-(5-chloro-2,4-dihydroxyphenyl)-1,2-oxazol-4-yl]-4-methoxybenzamide has a molecular weight of 360.75 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloro-2,4-dihydroxyphenyl)-1,2-oxazol-4-yl]-4-methoxybenzamide is sourced from PubChem (CID 144926501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).