N-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide

C17H11Cl2N3O3 — CID 84552776

IUPACN-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2coc(-c3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C17H11Cl2N3O3/c18-12-6-3-10(7-13(12)19)17-22-14(8-25-17)16(24)21-11-4-1-9(2-5-11)15(20)23/h1-8H,(H2,20,23)(H,21,24)
InChIKeyXAJAEYSGXMSHTH-UHFFFAOYSA-N
MW376.20 g/mol
LogP4.00
Rot. Bonds4

About N-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide

N-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide (PubChem CID 84552776) has the molecular formula C17H11Cl2N3O3 and a molecular weight of 376.20 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
PubChem CID84552776
Molecular FormulaC17H11Cl2N3O3
Molecular Weight376.20 g/mol
Exact Mass375.02
IUPAC NameN-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2coc(-c3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C17H11Cl2N3O3/c18-12-6-3-10(7-13(12)19)17-22-14(8-25-17)16(24)21-11-4-1-9(2-5-11)15(20)23/h1-8H,(H2,20,23)(H,21,24)
InChIKeyXAJAEYSGXMSHTH-UHFFFAOYSA-N
XLogP4.00
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 84552881
2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 84552922
2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 84552918
2-(3,4-dichlorophenyl)-N-(3,4-diethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 84552982
2-(3,4-dichlorophenyl)-N-(3-fluoro-4-nitrophenyl)-1,3-oxazole-4-carboxamide
CID 84553164
N-(2-cyanophenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
CID 84552909
2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 3857565
2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 84552788
2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-oxazole-4-carboxamide
CID 84553160
2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoic acid
CID 84552965
4-(3,4-dichlorophenyl)benzamide
CID 141087497
2-(3,4-dichlorophenyl)-N-(1-hydroxybutan-2-yl)-1,3-oxazole-4-carboxamide
CID 84557151

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide (CID 84552776) is N-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide is NC(=O)c1ccc(NC(=O)c2coc(-c3ccc(Cl)c(Cl)c3)n2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is XAJAEYSGXMSHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O3/c18-12-6-3-10(7-13(12)19)17-22-14(8-25-17)16(24)21-11-4-1-9(2-5-11)15(20)23/h1-8H,(H2,20,23)(H,21,24).
What are the key properties of N-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide?
N-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 376.20 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 84552776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).