5-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide

C14H17N3O2 — CID 66157732

IUPAC5-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide
SMILESCNC(C)c1ccc(NC(=O)c2cc(C)on2)cc1
InChIInChI=1S/C14H17N3O2/c1-9-8-13(17-19-9)14(18)16-12-6-4-11(5-7-12)10(2)15-3/h4-8,10,15H,1-3H3,(H,16,18)
InChIKeyIGXMMSBELAHPII-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.52
Rot. Bonds4

About 5-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 66157732) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide
PubChem CID66157732
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide
SMILESCNC(C)c1ccc(NC(=O)c2cc(C)on2)cc1
InChIInChI=1S/C14H17N3O2/c1-9-8-13(17-19-9)14(18)16-12-6-4-11(5-7-12)10(2)15-3/h4-8,10,15H,1-3H3,(H,16,18)
InChIKeyIGXMMSBELAHPII-UHFFFAOYSA-N
XLogP2.52
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[1-(methylamino)ethyl]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 61339817
5-(methoxymethyl)-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide
CID 66157733
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1,2-oxazole-3-carboxamide
CID 106910403
5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
N-(3-amino-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66156908
N-[4-[1-(methylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide
CID 63085076
N-(2,3-dihydro-1H-indol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 55168760
3-[(4-propan-2-ylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369073
4-hydroxy-2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
CID 107671338
N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51093188
N-[4-(cyclopropylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51299884

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide (CID 66157732) is 5-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide is CNC(C)c1ccc(NC(=O)c2cc(C)on2)cc1.
What is the InChIKey of 5-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is IGXMMSBELAHPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-8-13(17-19-9)14(18)16-12-6-4-11(5-7-12)10(2)15-3/h4-8,10,15H,1-3H3,(H,16,18).
What are the key properties of 5-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 66157732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).