N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide

C11H11N3O2 — CID 43600005

IUPACN-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2N)on1
InChIInChI=1S/C11H11N3O2/c1-7-6-10(16-14-7)11(15)13-9-5-3-2-4-8(9)12/h2-6H,12H2,1H3,(H,13,15)
InChIKeyKDLRWDVZTLIHHH-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.82
Rot. Bonds2

About N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide

N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 43600005) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID43600005
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2N)on1
InChIInChI=1S/C11H11N3O2/c1-7-6-10(16-14-7)11(15)13-9-5-3-2-4-8(9)12/h2-6H,12H2,1H3,(H,13,15)
InChIKeyKDLRWDVZTLIHHH-UHFFFAOYSA-N
XLogP1.82
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
N-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 64793807
3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
CID 43911360
3-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 107272302
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 107800749
2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid
CID 63747201
3-methyl-N-(2-thiophen-2-ylphenyl)-1,2-oxazole-5-carboxamide
CID 47131140
N-(4-chloro-2-iodophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 103766730
2-chloro-6-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 63722414
3-methyl-N-(2-prop-2-enoxyphenyl)-1,2-oxazole-5-carboxamide
CID 43911392
N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911460
N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 20868329

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 43600005) is N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccccc2N)on1.
What is the InChIKey of N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is KDLRWDVZTLIHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-6-10(16-14-7)11(15)13-9-5-3-2-4-8(9)12/h2-6H,12H2,1H3,(H,13,15).
What are the key properties of N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 43600005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).