N-(1-amino-2-methylpropan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride

C13H23ClN4O2 — CID 119522706

IUPACN-(1-amino-2-methylpropan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
SMILESCC(C)(CN)NC(=O)CCCc1nc(C2CC2)no1.Cl
InChIInChI=1S/C13H22N4O2.ClH/c1-13(2,8-14)16-10(18)4-3-5-11-15-12(17-19-11)9-6-7-9;/h9H,3-8,14H2,1-2H3,(H,16,18);1H
InChIKeyUJYQVUKYEUJFFV-UHFFFAOYSA-N
MW302.81 g/mol
LogP1.54
Rot. Bonds7

About N-(1-amino-2-methylpropan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride (PubChem CID 119522706) has the molecular formula C13H23ClN4O2 and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
PubChem CID119522706
Molecular FormulaC13H23ClN4O2
Molecular Weight302.81 g/mol
Exact Mass302.15
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
SMILESCC(C)(CN)NC(=O)CCCc1nc(C2CC2)no1.Cl
InChIInChI=1S/C13H22N4O2.ClH/c1-13(2,8-14)16-10(18)4-3-5-11-15-12(17-19-11)9-6-7-9;/h9H,3-8,14H2,1-2H3,(H,16,18);1H
InChIKeyUJYQVUKYEUJFFV-UHFFFAOYSA-N
XLogP1.54
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylbutanoic acid
CID 119199076
2-[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696739
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346459
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2,2-dimethylpropylsulfonyl)propanamide
CID 99812784
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120546481
N-(3-amino-4-methylpentyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylbutanamide;hydrochloride
CID 119658824
N-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119528258
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 65390511
4-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65412635
N-(3-amino-4-methoxyphenyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119419525
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119608463
N-(4-aminocyclohexyl)-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119478368

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride (CID 119522706) is N-(1-amino-2-methylpropan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride is CC(C)(CN)NC(=O)CCCc1nc(C2CC2)no1.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The InChIKey is UJYQVUKYEUJFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2.ClH/c1-13(2,8-14)16-10(18)4-3-5-11-15-12(17-19-11)9-6-7-9;/h9H,3-8,14H2,1-2H3,(H,16,18);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride has a molecular weight of 302.81 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride is sourced from PubChem (CID 119522706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).