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

C17H16ClN3O3 — CID 35345708

IUPACN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1ccco1
InChIInChI=1S/C17H16ClN3O3/c1-11(2)21(17(22)14-4-3-9-23-14)10-15-19-20-16(24-15)12-5-7-13(18)8-6-12/h3-9,11H,10H2,1-2H3
InChIKeyGJMNNVJTIUKTMC-UHFFFAOYSA-N
MW345.79 g/mol
LogP4.03
Rot. Bonds5

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

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide (PubChem CID 35345708) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
PubChem CID35345708
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1ccco1
InChIInChI=1S/C17H16ClN3O3/c1-11(2)21(17(22)14-4-3-9-23-14)10-15-19-20-16(24-15)12-5-7-13(18)8-6-12/h3-9,11H,10H2,1-2H3
InChIKeyGJMNNVJTIUKTMC-UHFFFAOYSA-N
XLogP4.03
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dichloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 35345881
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopentylfuran-2-carboxamide
CID 17442700
4-tert-butyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 35345713
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 8699771
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-fluoro-4-methyl-N-propan-2-ylbenzamide
CID 30804673
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 35346939
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-[(4-methylphenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 30804689
4-acetyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3,5-dimethyl-N-propan-2-yl-1H-pyrrole-2-carboxamide
CID 17421343
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoic acid
CID 62637417
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-1-phenylmethanamine
CID 51171811
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 55395534
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-ylfuran-2-carboxamide
CID 51240926

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide (CID 35345708) is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide is CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1ccco1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is GJMNNVJTIUKTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-11(2)21(17(22)14-4-3-9-23-14)10-15-19-20-16(24-15)12-5-7-13(18)8-6-12/h3-9,11H,10H2,1-2H3.
What are the key properties of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide?
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 345.79 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 35345708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).