N-(5-chloro-2-hydroxyphenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide

C18H15ClN2O5 — CID 49081050

IUPACN-(5-chloro-2-hydroxyphenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3cc(Cl)ccc3O)no2)c1
InChIInChI=1S/C18H15ClN2O5/c1-24-11-4-6-16(25-2)12(8-11)17-9-14(21-26-17)18(23)20-13-7-10(19)3-5-15(13)22/h3-9,22H,1-2H3,(H,20,23)
InChIKeyRUBZRUVLTXOWOR-UHFFFAOYSA-N
MW374.78 g/mol
LogP3.97
Rot. Bonds5

About N-(5-chloro-2-hydroxyphenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide

N-(5-chloro-2-hydroxyphenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 49081050) has the molecular formula C18H15ClN2O5 and a molecular weight of 374.78 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID49081050
Molecular FormulaC18H15ClN2O5
Molecular Weight374.78 g/mol
Exact Mass374.07
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3cc(Cl)ccc3O)no2)c1
InChIInChI=1S/C18H15ClN2O5/c1-24-11-4-6-16(25-2)12(8-11)17-9-14(21-26-17)18(23)20-13-7-10(19)3-5-15(13)22/h3-9,22H,1-2H3,(H,20,23)
InChIKeyRUBZRUVLTXOWOR-UHFFFAOYSA-N
XLogP3.97
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-(2,5-dimethoxyphenyl)-N-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 49016837
N-[2-(4-chlorophenyl)ethyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 48981217
5-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46417352
5-(2,5-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 48981792
N-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17252836
N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 17252987
N-[4-[acetyl(methyl)amino]phenyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 48994582
5-(4-chlorophenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 24608242
(4S)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 97338789
(4R)-4-[[5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 97338790
5-(2,5-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 3674837
N-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 24663728

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide (CID 49081050) is N-(5-chloro-2-hydroxyphenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)Nc3cc(Cl)ccc3O)no2)c1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RUBZRUVLTXOWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O5/c1-24-11-4-6-16(25-2)12(8-11)17-9-14(21-26-17)18(23)20-13-7-10(19)3-5-15(13)22/h3-9,22H,1-2H3,(H,20,23).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(5-chloro-2-hydroxyphenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 374.78 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 49081050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).