4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide

C13H16N4O2 — CID 55090938

IUPAC4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1nonc1N
InChIInChI=1S/C13H16N4O2/c1-9(7-8-10-5-3-2-4-6-10)15-13(18)11-12(14)17-19-16-11/h2-6,9H,7-8H2,1H3,(H2,14,17)(H,15,18)
InChIKeyZMZFCMLJLQJPEW-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.40
Rot. Bonds5

About 4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 55090938) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID55090938
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1nonc1N
InChIInChI=1S/C13H16N4O2/c1-9(7-8-10-5-3-2-4-6-10)15-13(18)11-12(14)17-19-16-11/h2-6,9H,7-8H2,1H3,(H2,14,17)(H,15,18)
InChIKeyZMZFCMLJLQJPEW-UHFFFAOYSA-N
XLogP1.40
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-4-phenylbutanoic acid
CID 114917606
3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide
CID 30138259
6-amino-3-chloro-N-(4-phenylbutan-2-yl)pyridine-2-carboxamide
CID 62186305
4-amino-N-(1-methylsulfonylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 64642806
6-amino-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 62072779
3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 17218078
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
4-bromo-N-(4-phenylbutan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560954
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
4-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-1,2,5-oxadiazole-3-carboxamide
CID 94548469
N-(4-phenylbutan-2-yl)-2-sulfanylacetamide
CID 60650069

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide (CID 55090938) is 4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide is CC(CCc1ccccc1)NC(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is ZMZFCMLJLQJPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9(7-8-10-5-3-2-4-6-10)15-13(18)11-12(14)17-19-16-11/h2-6,9H,7-8H2,1H3,(H2,14,17)(H,15,18).
What are the key properties of 4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-phenylbutan-2-yl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 55090938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).