N-carbamoyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide

C8H13N5O3 — CID 106401246

IUPACN-carbamoyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide
SMILESCC(NCCc1ncon1)C(=O)NC(N)=O
InChIInChI=1S/C8H13N5O3/c1-5(7(14)12-8(9)15)10-3-2-6-11-4-16-13-6/h4-5,10H,2-3H2,1H3,(H3,9,12,14,15)
InChIKeyQWVNBZODEJQZIT-UHFFFAOYSA-N
MW227.22 g/mol
LogP-1.21
Rot. Bonds5

About N-carbamoyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide

N-carbamoyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide (PubChem CID 106401246) has the molecular formula C8H13N5O3 and a molecular weight of 227.22 g/mol. Its IUPAC name is N-carbamoyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide
PubChem CID106401246
Molecular FormulaC8H13N5O3
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC NameN-carbamoyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide
SMILESCC(NCCc1ncon1)C(=O)NC(N)=O
InChIInChI=1S/C8H13N5O3/c1-5(7(14)12-8(9)15)10-3-2-6-11-4-16-13-6/h4-5,10H,2-3H2,1H3,(H3,9,12,14,15)
InChIKeyQWVNBZODEJQZIT-UHFFFAOYSA-N
XLogP-1.21
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide
CID 106401243
2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106395575
methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoate
CID 106400593
(2S)-2-amino-3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
CID 106397686
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]but-3-en-2-amine
CID 106400522
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]but-3-yn-2-amine
CID 106400759
5-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 106396467
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 106395538
2-[1-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethyl]phenol
CID 114183507
4-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
CID 106409914
N-(2-methoxyethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide
CID 106399027
(2S)-3-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 106404555

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide?
The IUPAC name of N-carbamoyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide (CID 106401246) is N-carbamoyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide.
What is the SMILES notation for N-carbamoyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide?
The canonical SMILES for N-carbamoyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide is CC(NCCc1ncon1)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide?
The InChIKey is QWVNBZODEJQZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O3/c1-5(7(14)12-8(9)15)10-3-2-6-11-4-16-13-6/h4-5,10H,2-3H2,1H3,(H3,9,12,14,15).
What are the key properties of N-carbamoyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide?
N-carbamoyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide has a molecular weight of 227.22 g/mol, XLogP of -1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide is sourced from PubChem (CID 106401246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).