N-methyl-5-[2-methyl-5-[[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-phenyl-1-benzofuran-3-carboxamide

C34H27N5O4 — CID 59505170

IUPACN-methyl-5-[2-methyl-5-[[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-phenyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccccc2)oc2ccc(-c3cc(C(=O)NC4(c5nc(-c6ccccn6)no5)CC4)ccc3C)cc12
InChIInChI=1S/C34H27N5O4/c1-20-11-12-23(31(40)38-34(15-16-34)33-37-30(39-43-33)26-10-6-7-17-36-26)19-24(20)22-13-14-27-25(18-22)28(32(41)35-2)29(42-27)21-8-4-3-5-9-21/h3-14,17-19H,15-16H2,1-2H3,(H,35,41)(H,38,40)
InChIKeyJHKUJGPNCKXKBR-UHFFFAOYSA-N
MW569.62 g/mol
LogP6.30
Rot. Bonds7

About N-methyl-5-[2-methyl-5-[[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-phenyl-1-benzofuran-3-carboxamide

N-methyl-5-[2-methyl-5-[[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-phenyl-1-benzofuran-3-carboxamide (PubChem CID 59505170) has the molecular formula C34H27N5O4 and a molecular weight of 569.62 g/mol. Its IUPAC name is N-methyl-5-[2-methyl-5-[[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-phenyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[2-methyl-5-[[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-phenyl-1-benzofuran-3-carboxamide
PubChem CID59505170
Molecular FormulaC34H27N5O4
Molecular Weight569.62 g/mol
Exact Mass569.21
IUPAC NameN-methyl-5-[2-methyl-5-[[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-phenyl-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccccc2)oc2ccc(-c3cc(C(=O)NC4(c5nc(-c6ccccn6)no5)CC4)ccc3C)cc12
InChIInChI=1S/C34H27N5O4/c1-20-11-12-23(31(40)38-34(15-16-34)33-37-30(39-43-33)26-10-6-7-17-36-26)19-24(20)22-13-14-27-25(18-22)28(32(41)35-2)29(42-27)21-8-4-3-5-9-21/h3-14,17-19H,15-16H2,1-2H3,(H,35,41)(H,38,40)
InChIKeyJHKUJGPNCKXKBR-UHFFFAOYSA-N
XLogP6.30
TPSA123.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.62
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-methyl-5-[2-methyl-5-[[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-phenyl-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[[1-(5-phenyl-1,2,4-oxadiazol-3-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275695
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275443
1-[2-(4-fluorophenyl)-5-[2-methyl-5-[2-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]acetyl]phenyl]-1-benzofuran-3-yl]propan-1-one
CID 58472849
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-methylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 143956964
2-methyl-5-[2-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 141381759
N-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 87409425
N-(4-fluorophenyl)-2-methyl-5-[2-methyl-5-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 142787133
[[1-[[3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-4-methylbenzoyl]amino]cyclopropanecarbonyl]amino]carbamic acid
CID 67211581
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[2-[1-(1,8-naphthyridin-2-yl)cyclopropyl]acetyl]phenyl]-1-benzofuran-3-carboxamide
CID 159365524
2-(4-fluorophenyl)-5-[3-[[1-(4-fluorophenyl)cyclopropyl]carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 59275141
5-[4-cyclobutyloxy-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 58472870
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-4-(pyrazin-2-ylmethoxy)-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 58472485

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-methyl-5-[[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-phenyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-methyl-5-[2-methyl-5-[[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-phenyl-1-benzofuran-3-carboxamide (CID 59505170) is N-methyl-5-[2-methyl-5-[[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-phenyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-methyl-5-[2-methyl-5-[[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-phenyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-methyl-5-[2-methyl-5-[[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-phenyl-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccccc2)oc2ccc(-c3cc(C(=O)NC4(c5nc(-c6ccccn6)no5)CC4)ccc3C)cc12.
What is the InChIKey of N-methyl-5-[2-methyl-5-[[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-phenyl-1-benzofuran-3-carboxamide?
The InChIKey is JHKUJGPNCKXKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N5O4/c1-20-11-12-23(31(40)38-34(15-16-34)33-37-30(39-43-33)26-10-6-7-17-36-26)19-24(20)22-13-14-27-25(18-22)28(32(41)35-2)29(42-27)21-8-4-3-5-9-21/h3-14,17-19H,15-16H2,1-2H3,(H,35,41)(H,38,40).
What are the key properties of N-methyl-5-[2-methyl-5-[[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-phenyl-1-benzofuran-3-carboxamide?
N-methyl-5-[2-methyl-5-[[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-phenyl-1-benzofuran-3-carboxamide has a molecular weight of 569.62 g/mol, XLogP of 6.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[2-methyl-5-[[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-phenyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 59505170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).