2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanamide

C7H12N4O2 — CID 107911409

IUPAC2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanamide
SMILESCc1nc(CNC(C)C(N)=O)no1
InChIInChI=1S/C7H12N4O2/c1-4(7(8)12)9-3-6-10-5(2)13-11-6/h4,9H,3H2,1-2H3,(H2,8,12)
InChIKeyQTFGBYXRGIEMNN-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.66
Rot. Bonds4

About 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanamide

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanamide (PubChem CID 107911409) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanamide
PubChem CID107911409
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanamide
SMILESCc1nc(CNC(C)C(N)=O)no1
InChIInChI=1S/C7H12N4O2/c1-4(7(8)12)9-3-6-10-5(2)13-11-6/h4,9H,3H2,1-2H3,(H2,8,12)
InChIKeyQTFGBYXRGIEMNN-UHFFFAOYSA-N
XLogP-0.66
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 103881620
tert-butyl N-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propyl]carbamate
CID 106391476
5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine
CID 107911627
4-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentan-1-ol
CID 107911467
(1S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 107911783
2-amino-4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide
CID 103811641
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide
CID 130667873
3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-sulfanylbutanamide
CID 106410052
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl carbamate
CID 107911873
(2R)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid
CID 83194553
(2R)-2-amino-3,3-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 106396531
(2S)-2-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanamide
CID 97226714

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanamide?
The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanamide (CID 107911409) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanamide.
What is the SMILES notation for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanamide?
The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanamide is Cc1nc(CNC(C)C(N)=O)no1.
What is the InChIKey of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanamide?
The InChIKey is QTFGBYXRGIEMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-4(7(8)12)9-3-6-10-5(2)13-11-6/h4,9H,3H2,1-2H3,(H2,8,12).
What are the key properties of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanamide?
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanamide has a molecular weight of 184.20 g/mol, XLogP of -0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propanamide is sourced from PubChem (CID 107911409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).