2-(methylaminomethyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide

C15H19N3O2 — CID 3671198

IUPAC2-(methylaminomethyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
SMILESCNCc1nc(C(=O)NCCCc2ccccc2)co1
InChIInChI=1S/C15H19N3O2/c1-16-10-14-18-13(11-20-14)15(19)17-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11,16H,5,8-10H2,1H3,(H,17,19)
InChIKeyZRGKOXQFALNEKR-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.76
Rot. Bonds7

About 2-(methylaminomethyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide

2-(methylaminomethyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide (PubChem CID 3671198) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(methylaminomethyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
PubChem CID3671198
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(methylaminomethyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
SMILESCNCc1nc(C(=O)NCCCc2ccccc2)co1
InChIInChI=1S/C15H19N3O2/c1-16-10-14-18-13(11-20-14)15(19)17-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11,16H,5,8-10H2,1H3,(H,17,19)
InChIKeyZRGKOXQFALNEKR-UHFFFAOYSA-N
XLogP1.76
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
CID 4596847
2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3868845
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-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3665798
2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
CID 110852301
2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
CID 3798183
N-(3-methoxypropyl)-2-[[3-methoxypropyl-(2-phenylacetyl)amino]methyl]-1,3-oxazole-4-carboxamide
CID 3454944
N-(9H-fluoren-9-yl)-2-(methylaminomethyl)-1,3-oxazole-4-carboxamide
CID 3692959
6-chloro-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 103186748
2-[(4-benzylpiperazin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 29088068
4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 62181098

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(methylaminomethyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide (CID 3671198) is 2-(methylaminomethyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(methylaminomethyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(methylaminomethyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide is CNCc1nc(C(=O)NCCCc2ccccc2)co1.
What is the InChIKey of 2-(methylaminomethyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is ZRGKOXQFALNEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-16-10-14-18-13(11-20-14)15(19)17-9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11,16H,5,8-10H2,1H3,(H,17,19).
What are the key properties of 2-(methylaminomethyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide?
2-(methylaminomethyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3671198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).