3-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-phenylpropanamide

C18H24N4O2 — CID 119951202

IUPAC3-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-phenylpropanamide
SMILESCC(C)C(NC(=O)CC(N)c1ccccc1)c1nc(C2CC2)no1
InChIInChI=1S/C18H24N4O2/c1-11(2)16(18-21-17(22-24-18)13-8-9-13)20-15(23)10-14(19)12-6-4-3-5-7-12/h3-7,11,13-14,16H,8-10,19H2,1-2H3,(H,20,23)
InChIKeyBRXCHXBZPYDTCH-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.85
Rot. Bonds7

About 3-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-phenylpropanamide

3-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-phenylpropanamide (PubChem CID 119951202) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-phenylpropanamide
PubChem CID119951202
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-phenylpropanamide
SMILESCC(C)C(NC(=O)CC(N)c1ccccc1)c1nc(C2CC2)no1
InChIInChI=1S/C18H24N4O2/c1-11(2)16(18-21-17(22-24-18)13-8-9-13)20-15(23)10-14(19)12-6-4-3-5-7-12/h3-7,11,13-14,16H,8-10,19H2,1-2H3,(H,20,23)
InChIKeyBRXCHXBZPYDTCH-UHFFFAOYSA-N
XLogP2.85
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119773226
2-(aminomethyl)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 119773224
3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119953880
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]oxirane-2-carboxamide
CID 154880207
trans-(1S,2S)-2-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132128
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 95232256
3-[[[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]amino]methyl]benzoic acid
CID 122032495
3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 119817400
1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(2-hydroxycyclohexyl)urea
CID 110933429
(R)-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898627
(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine
CID 59361300
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111540799

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-phenylpropanamide (CID 119951202) is 3-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-phenylpropanamide is CC(C)C(NC(=O)CC(N)c1ccccc1)c1nc(C2CC2)no1.
What is the InChIKey of 3-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-phenylpropanamide?
The InChIKey is BRXCHXBZPYDTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-11(2)16(18-21-17(22-24-18)13-8-9-13)20-15(23)10-14(19)12-6-4-3-5-7-12/h3-7,11,13-14,16H,8-10,19H2,1-2H3,(H,20,23).
What are the key properties of 3-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-phenylpropanamide?
3-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-phenylpropanamide has a molecular weight of 328.42 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-phenylpropanamide is sourced from PubChem (CID 119951202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).