N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide

C14H14ClN3O4 — CID 131933694

IUPACN-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2cc(C)on2)cc1Cl
InChIInChI=1S/C14H14ClN3O4/c1-8-5-12(18-22-8)14(20)16-9-3-4-11(10(15)6-9)17-13(19)7-21-2/h3-6H,7H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyXCRSZHUUYWLOAM-UHFFFAOYSA-N
MW323.74 g/mol
LogP2.47
Rot. Bonds5

About N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 131933694) has the molecular formula C14H14ClN3O4 and a molecular weight of 323.74 g/mol. Its IUPAC name is N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID131933694
Molecular FormulaC14H14ClN3O4
Molecular Weight323.74 g/mol
Exact Mass323.07
IUPAC NameN-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2cc(C)on2)cc1Cl
InChIInChI=1S/C14H14ClN3O4/c1-8-5-12(18-22-8)14(20)16-9-3-4-11(10(15)6-9)17-13(19)7-21-2/h3-6H,7H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyXCRSZHUUYWLOAM-UHFFFAOYSA-N
XLogP2.47
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 2470130
2-chloro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 61398577
N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 131932476
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
2,6-dichloro-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]benzamide
CID 131901895
N-(2-chloro-4-hydroxyphenyl)-2-methoxyacetamide
CID 64786575
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 131890366
N-(5-acetamido-2-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17417372
N-(3-amino-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66156908
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 66158522

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 131933694) is N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide is COCC(=O)Nc1ccc(NC(=O)c2cc(C)on2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is XCRSZHUUYWLOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O4/c1-8-5-12(18-22-8)14(20)16-9-3-4-11(10(15)6-9)17-13(19)7-21-2/h3-6H,7H2,1-2H3,(H,16,20)(H,17,19).
What are the key properties of N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 323.74 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 131933694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).