N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

C15H22N4O3 — CID 50957471

IUPACN-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1nc(CN(C)C(=O)c2cc(C(C)C)on2)no1
InChIInChI=1S/C15H22N4O3/c1-9(2)6-14-16-13(18-22-14)8-19(5)15(20)11-7-12(10(3)4)21-17-11/h7,9-10H,6,8H2,1-5H3
InChIKeyVHUVFAXZXCDWIH-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.65
Rot. Bonds6

About N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 50957471) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID50957471
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1nc(CN(C)C(=O)c2cc(C(C)C)on2)no1
InChIInChI=1S/C15H22N4O3/c1-9(2)6-14-16-13(18-22-14)8-19(5)15(20)11-7-12(10(3)4)21-17-11/h7,9-10H,6,8H2,1-5H3
InChIKeyVHUVFAXZXCDWIH-UHFFFAOYSA-N
XLogP2.65
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propan-2-yl-1,2-oxazole-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 N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 50957471) is N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)Cc1nc(CN(C)C(=O)c2cc(C(C)C)on2)no1.
What is the InChIKey of N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is VHUVFAXZXCDWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-9(2)6-14-16-13(18-22-14)8-19(5)15(20)11-7-12(10(3)4)21-17-11/h7,9-10H,6,8H2,1-5H3.
What are the key properties of N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 50957471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).