2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide

C14H17N3O2 — CID 3804725

IUPAC2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCNCc1nc(C(=O)NCc2cccc(C)c2)co1
InChIInChI=1S/C14H17N3O2/c1-10-4-3-5-11(6-10)7-16-14(18)12-9-19-13(17-12)8-15-2/h3-6,9,15H,7-8H2,1-2H3,(H,16,18)
InChIKeyWNRPEILBJXRBGB-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.63
Rot. Bonds5

About 2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide

2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 3804725) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID3804725
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCNCc1nc(C(=O)NCc2cccc(C)c2)co1
InChIInChI=1S/C14H17N3O2/c1-10-4-3-5-11(6-10)7-16-14(18)12-9-19-13(17-12)8-15-2/h3-6,9,15H,7-8H2,1-2H3,(H,16,18)
InChIKeyWNRPEILBJXRBGB-UHFFFAOYSA-N
XLogP1.63
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
CID 3501172
N-[(4-fluorophenyl)methyl]-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
CID 3813359
2-[[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 92986536
2-(methylaminomethyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3671198
N-benzyl-2-[[(3-methylphenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 42831954
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409
2-[(4-acetyl-4-phenylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 42859056
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109
2-(methylaminomethyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 3549380
N-(furan-2-ylmethyl)-2-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide
CID 42835100
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 47297279
N-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 26392971

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide (CID 3804725) is 2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide is CNCc1nc(C(=O)NCc2cccc(C)c2)co1.
What is the InChIKey of 2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is WNRPEILBJXRBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-4-3-5-11(6-10)7-16-14(18)12-9-19-13(17-12)8-15-2/h3-6,9,15H,7-8H2,1-2H3,(H,16,18).
What are the key properties of 2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide?
2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3804725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).