N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide

C14H17N3O2 — CID 120827875

IUPACN-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCNC(C)CNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C14H17N3O2/c1-10(15-2)9-16-14(18)12-8-13(19-17-12)11-6-4-3-5-7-11/h3-8,10,15H,9H2,1-2H3,(H,16,18)
InChIKeyRRBSEYUKJOSMLY-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.68
Rot. Bonds5

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

N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 120827875) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID120827875
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCNC(C)CNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C14H17N3O2/c1-10(15-2)9-16-14(18)12-8-13(19-17-12)11-6-4-3-5-7-11/h3-8,10,15H,9H2,1-2H3,(H,16,18)
InChIKeyRRBSEYUKJOSMLY-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
5-(3-chlorophenyl)-N-[2-(methylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 120826944
N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 65031495
N-[2-(4-chlorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 171470034
N-pentan-2-yl-5-phenyl-1,2-oxazole-3-carboxamide
CID 133149969
N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51103232
N-(2-cyclopropyl-2-hydroxyethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 63295331
N-[2-[[(2S)-2-(dimethylamino)propyl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95383413
N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 93486036
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 45132897
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 50754415
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 120827875) is N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide is CNC(C)CNC(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is RRBSEYUKJOSMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(15-2)9-16-14(18)12-8-13(19-17-12)11-6-4-3-5-7-11/h3-8,10,15H,9H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 120827875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).