5-[1-[(2-amino-3-naphthalen-2-ylbutanoyl)amino]-2-phenylethyl]-N-benzyl-1,2,4-oxadiazole-3-carboxamide

C32H31N5O3 — CID 57001231

IUPAC5-[1-[(2-amino-3-naphthalen-2-ylbutanoyl)amino]-2-phenylethyl]-N-benzyl-1,2,4-oxadiazole-3-carboxamide
SMILESCC(c1ccc2ccccc2c1)C(N)C(=O)NC(Cc1ccccc1)c1nc(C(=O)NCc2ccccc2)no1
InChIInChI=1S/C32H31N5O3/c1-21(25-17-16-24-14-8-9-15-26(24)19-25)28(33)30(38)35-27(18-22-10-4-2-5-11-22)32-36-29(37-40-32)31(39)34-20-23-12-6-3-7-13-23/h2-17,19,21,27-28H,18,20,33H2,1H3,(H,34,39)(H,35,38)
InChIKeyXHGVVOBKKYKQIN-UHFFFAOYSA-N
MW533.63 g/mol
LogP4.68
Rot. Bonds10

About 5-[1-[(2-amino-3-naphthalen-2-ylbutanoyl)amino]-2-phenylethyl]-N-benzyl-1,2,4-oxadiazole-3-carboxamide

5-[1-[(2-amino-3-naphthalen-2-ylbutanoyl)amino]-2-phenylethyl]-N-benzyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 57001231) has the molecular formula C32H31N5O3 and a molecular weight of 533.63 g/mol. Its IUPAC name is 5-[1-[(2-amino-3-naphthalen-2-ylbutanoyl)amino]-2-phenylethyl]-N-benzyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-[(2-amino-3-naphthalen-2-ylbutanoyl)amino]-2-phenylethyl]-N-benzyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID57001231
Molecular FormulaC32H31N5O3
Molecular Weight533.63 g/mol
Exact Mass533.24
IUPAC Name5-[1-[(2-amino-3-naphthalen-2-ylbutanoyl)amino]-2-phenylethyl]-N-benzyl-1,2,4-oxadiazole-3-carboxamide
SMILESCC(c1ccc2ccccc2c1)C(N)C(=O)NC(Cc1ccccc1)c1nc(C(=O)NCc2ccccc2)no1
InChIInChI=1S/C32H31N5O3/c1-21(25-17-16-24-14-8-9-15-26(24)19-25)28(33)30(38)35-27(18-22-10-4-2-5-11-22)32-36-29(37-40-32)31(39)34-20-23-12-6-3-7-13-23/h2-17,19,21,27-28H,18,20,33H2,1H3,(H,34,39)(H,35,38)
InChIKeyXHGVVOBKKYKQIN-UHFFFAOYSA-N
XLogP4.68
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.63
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[1-[(2-amino-3-naphthalen-2-ylbutanoyl)amino]-2-phenylethyl]-N-benzyl-1,2,4-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-amino-3-naphthalen-2-ylbutanoyl)amino]-2-phenylethyl]-N-benzyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[1-[(2-amino-3-naphthalen-2-ylbutanoyl)amino]-2-phenylethyl]-N-benzyl-1,2,4-oxadiazole-3-carboxamide (CID 57001231) is 5-[1-[(2-amino-3-naphthalen-2-ylbutanoyl)amino]-2-phenylethyl]-N-benzyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[1-[(2-amino-3-naphthalen-2-ylbutanoyl)amino]-2-phenylethyl]-N-benzyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[1-[(2-amino-3-naphthalen-2-ylbutanoyl)amino]-2-phenylethyl]-N-benzyl-1,2,4-oxadiazole-3-carboxamide is CC(c1ccc2ccccc2c1)C(N)C(=O)NC(Cc1ccccc1)c1nc(C(=O)NCc2ccccc2)no1.
What is the InChIKey of 5-[1-[(2-amino-3-naphthalen-2-ylbutanoyl)amino]-2-phenylethyl]-N-benzyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is XHGVVOBKKYKQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N5O3/c1-21(25-17-16-24-14-8-9-15-26(24)19-25)28(33)30(38)35-27(18-22-10-4-2-5-11-22)32-36-29(37-40-32)31(39)34-20-23-12-6-3-7-13-23/h2-17,19,21,27-28H,18,20,33H2,1H3,(H,34,39)(H,35,38).
What are the key properties of 5-[1-[(2-amino-3-naphthalen-2-ylbutanoyl)amino]-2-phenylethyl]-N-benzyl-1,2,4-oxadiazole-3-carboxamide?
5-[1-[(2-amino-3-naphthalen-2-ylbutanoyl)amino]-2-phenylethyl]-N-benzyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 533.63 g/mol, XLogP of 4.68, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-amino-3-naphthalen-2-ylbutanoyl)amino]-2-phenylethyl]-N-benzyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 57001231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).