N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C14H19N3O3 — CID 120828743

IUPACN-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCNC(C)CNC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C14H19N3O3/c1-10(15-2)9-16-13(18)7-8-17-11-5-3-4-6-12(11)20-14(17)19/h3-6,10,15H,7-9H2,1-2H3,(H,16,18)
InChIKeyIJQLWOTWBDKXBQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.71
Rot. Bonds6

About N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 120828743) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID120828743
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCNC(C)CNC(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C14H19N3O3/c1-10(15-2)9-16-13(18)7-8-17-11-5-3-4-6-12(11)20-14(17)19/h3-6,10,15H,7-9H2,1-2H3,(H,16,18)
InChIKeyIJQLWOTWBDKXBQ-UHFFFAOYSA-N
XLogP0.71
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 94811013
N-[2-(methylamino)propyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride
CID 120828699
N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 82344583
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51195731
N-heptan-2-yl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197900
(2R)-N-ethyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]propanamide
CID 8756933
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7105736
N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 86858105
N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197823
N-(2-methyl-1-phenylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51213975
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 31617606
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 39956388

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 120828743) is N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CNC(C)CNC(=O)CCn1c(=O)oc2ccccc21.
What is the InChIKey of N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is IJQLWOTWBDKXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10(15-2)9-16-13(18)7-8-17-11-5-3-4-6-12(11)20-14(17)19/h3-6,10,15H,7-9H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 277.32 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 120828743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).