3-(3,7-dimethyl-1-benzofuran-2-yl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide

C16H17N3O3 — CID 53104891

IUPAC3-(3,7-dimethyl-1-benzofuran-2-yl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCc1c(-c2noc(C(=O)NC(C)C)n2)oc2c(C)cccc12
InChIInChI=1S/C16H17N3O3/c1-8(2)17-15(20)16-18-14(19-22-16)13-10(4)11-7-5-6-9(3)12(11)21-13/h5-8H,1-4H3,(H,17,20)
InChIKeyRUSXZKBEOKUKLB-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.24
Rot. Bonds3

About 3-(3,7-dimethyl-1-benzofuran-2-yl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide

3-(3,7-dimethyl-1-benzofuran-2-yl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 53104891) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-(3,7-dimethyl-1-benzofuran-2-yl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,7-dimethyl-1-benzofuran-2-yl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
PubChem CID53104891
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3-(3,7-dimethyl-1-benzofuran-2-yl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCc1c(-c2noc(C(=O)NC(C)C)n2)oc2c(C)cccc12
InChIInChI=1S/C16H17N3O3/c1-8(2)17-15(20)16-18-14(19-22-16)13-10(4)11-7-5-6-9(3)12(11)21-13/h5-8H,1-4H3,(H,17,20)
InChIKeyRUSXZKBEOKUKLB-UHFFFAOYSA-N
XLogP3.24
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,7-dimethyl-1-benzofuran-2-yl)-N-[(3-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53104936
3-(3,7-dimethyl-1-benzofuran-2-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
CID 53104918
3-(3,7-dimethyl-1-benzofuran-2-yl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
CID 53104922
3-(3,7-dimethyl-1-benzofuran-2-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 53104923
3-(3,7-dimethyl-1-benzofuran-2-yl)-N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53104933
3-(3-methyl-1-benzofuran-2-yl)-N-[(2S)-2-phenylpropyl]-1,2,4-oxadiazole-5-carboxamide
CID 95084791
5-(3,7-dimethyl-1-benzofuran-2-yl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazole-2-carboxamide
CID 53081317
N-benzyl-3-(3-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazole-5-carboxamide
CID 53104839
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-(3,7-dimethyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]methanone
CID 53104908
(2R)-2-[(3,7-dimethyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 119244664
[5-(3,7-dimethyl-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-piperidin-1-ylmethanone
CID 53081315
3,7-dimethyl-N-[(1R)-3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]-1-benzofuran-2-carboxamide
CID 97072599

Frequently Asked Questions

What is the IUPAC name of 3-(3,7-dimethyl-1-benzofuran-2-yl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-(3,7-dimethyl-1-benzofuran-2-yl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide (CID 53104891) is 3-(3,7-dimethyl-1-benzofuran-2-yl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-(3,7-dimethyl-1-benzofuran-2-yl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-(3,7-dimethyl-1-benzofuran-2-yl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide is Cc1c(-c2noc(C(=O)NC(C)C)n2)oc2c(C)cccc12.
What is the InChIKey of 3-(3,7-dimethyl-1-benzofuran-2-yl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is RUSXZKBEOKUKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-8(2)17-15(20)16-18-14(19-22-16)13-10(4)11-7-5-6-9(3)12(11)21-13/h5-8H,1-4H3,(H,17,20).
What are the key properties of 3-(3,7-dimethyl-1-benzofuran-2-yl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide?
3-(3,7-dimethyl-1-benzofuran-2-yl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,7-dimethyl-1-benzofuran-2-yl)-N-propan-2-yl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 53104891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).