N-[4-(dimethylamino)phenyl]-3-methyl-1,2-oxazole-4-carboxamide

C13H15N3O2 — CID 110861926

IUPACN-[4-(dimethylamino)phenyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C13H15N3O2/c1-9-12(8-18-15-9)13(17)14-10-4-6-11(7-5-10)16(2)3/h4-8H,1-3H3,(H,14,17)
InChIKeyWZVBJQLYLIHSTQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.30
Rot. Bonds3

About N-[4-(dimethylamino)phenyl]-3-methyl-1,2-oxazole-4-carboxamide

N-[4-(dimethylamino)phenyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 110861926) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID110861926
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[4-(dimethylamino)phenyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C13H15N3O2/c1-9-12(8-18-15-9)13(17)14-10-4-6-11(7-5-10)16(2)3/h4-8H,1-3H3,(H,14,17)
InChIKeyWZVBJQLYLIHSTQ-UHFFFAOYSA-N
XLogP2.30
TPSA58.37 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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110857774
3-methyl-N-(4-propan-2-ylphenyl)-1,2-oxazole-4-carboxamide
CID 110858115
2-[[4-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 4544849
N-[4-(dimethylamino)phenyl]-2-hydroxy-3-methylbenzamide
CID 43405605
N-[4-(dimethylamino)phenyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763741
N-(2,4-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110857168
N-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide
CID 918563
3-tert-butyl-N-[4-(dimethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110424690
N-[4-(dimethylamino)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 78776573
2-chloro-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 4063614
3-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzamide
CID 106543999
N-[4-(dimethylamino)phenyl]-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136669948

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 110861926) is N-[4-(dimethylamino)phenyl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is WZVBJQLYLIHSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-12(8-18-15-9)13(17)14-10-4-6-11(7-5-10)16(2)3/h4-8H,1-3H3,(H,14,17).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[4-(dimethylamino)phenyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110861926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).