N-[(3-aminophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide

C13H15N3O2 — CID 43383719

IUPACN-[(3-aminophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)N(C)Cc1cccc(N)c1
InChIInChI=1S/C13H15N3O2/c1-9-12(7-15-18-9)13(17)16(2)8-10-4-3-5-11(14)6-10/h3-7H,8,14H2,1-2H3
InChIKeyYEFKRQXEVJTREY-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.84
Rot. Bonds3

About N-[(3-aminophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide

N-[(3-aminophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 43383719) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID43383719
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[(3-aminophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)N(C)Cc1cccc(N)c1
InChIInChI=1S/C13H15N3O2/c1-9-12(7-15-18-9)13(17)16(2)8-10-4-3-5-11(14)6-10/h3-7H,8,14H2,1-2H3
InChIKeyYEFKRQXEVJTREY-UHFFFAOYSA-N
XLogP1.84
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
CID 43457798
N-[(3-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82826934
N-[(3-aminophenyl)methyl]-2-chloro-N-methylbenzamide
CID 43457723
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
N-[(3-aminophenyl)methyl]-2-chloro-N,4-dimethylbenzamide
CID 106860367
N-[(3-aminophenyl)methyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721381
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819
N-[(3-aminophenyl)methyl]-3-chloro-2-fluoro-N-methylbenzamide
CID 81265785
N-[(3-aminophenyl)methyl]-2,3,4-trifluoro-N-methylbenzamide
CID 79757071
N-[(3-aminophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide
CID 103510269
N-[(3-aminophenyl)methyl]-3-bromo-N,5-dimethylbenzamide
CID 104850560
3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 61411542

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide (CID 43383719) is N-[(3-aminophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)N(C)Cc1cccc(N)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is YEFKRQXEVJTREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-12(7-15-18-9)13(17)16(2)8-10-4-3-5-11(14)6-10/h3-7H,8,14H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[(3-aminophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 43383719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).