5-chloro-3-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide

C13H10ClN3O3 — CID 17013415

IUPAC5-chloro-3-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1nonc1NC(=O)c1oc2ccc(Cl)cc2c1C
InChIInChI=1S/C13H10ClN3O3/c1-6-9-5-8(14)3-4-10(9)19-11(6)13(18)15-12-7(2)16-20-17-12/h3-5H,1-2H3,(H,15,17,18)
InChIKeyFBSNDVXUILHRPA-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.34
Rot. Bonds2

About 5-chloro-3-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide

5-chloro-3-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 17013415) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide
PubChem CID17013415
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name5-chloro-3-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1nonc1NC(=O)c1oc2ccc(Cl)cc2c1C
InChIInChI=1S/C13H10ClN3O3/c1-6-9-5-8(14)3-4-10(9)19-11(6)13(18)15-12-7(2)16-20-17-12/h3-5H,1-2H3,(H,15,17,18)
InChIKeyFBSNDVXUILHRPA-UHFFFAOYSA-N
XLogP3.34
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[4-(3,4-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 17013417
5-chloro-3-methyl-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide
CID 17013485
5-chloro-3-methyl-N-pyridin-3-yl-1-benzofuran-2-carboxamide
CID 17489989
5-chloro-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 7992606
N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 27843870
methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 78809104
5-chloro-N-[2-(dimethylamino)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 43063974
methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 974608
5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7992434
5-chloro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79676953
N-(4-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344604
N-(5-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344840

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-3-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide (CID 17013415) is 5-chloro-3-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-3-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-3-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide is Cc1nonc1NC(=O)c1oc2ccc(Cl)cc2c1C.
What is the InChIKey of 5-chloro-3-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is FBSNDVXUILHRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c1-6-9-5-8(14)3-4-10(9)19-11(6)13(18)15-12-7(2)16-20-17-12/h3-5H,1-2H3,(H,15,17,18).
What are the key properties of 5-chloro-3-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide?
5-chloro-3-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 291.69 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17013415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).