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

C30H25FN4O4 — CID 142787133

IUPACN-(4-fluorophenyl)-2-methyl-5-[2-methyl-5-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide
SMILESCc1noc(C2(NC(=O)c3ccc(C)c(-c4ccc5oc(C)c(C(=O)Nc6ccc(F)cc6)c5c4)c3)CC2)n1
InChIInChI=1S/C30H25FN4O4/c1-16-4-5-20(27(36)34-30(12-13-30)29-32-18(3)35-39-29)15-23(16)19-6-11-25-24(14-19)26(17(2)38-25)28(37)33-22-9-7-21(31)8-10-22/h4-11,14-15H,12-13H2,1-3H3,(H,33,37)(H,34,36)
InChIKeyXCVPGADFZYECDH-UHFFFAOYSA-N
MW524.55 g/mol
LogP6.22
Rot. Bonds6

About 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

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 (PubChem CID 142787133) has the molecular formula C30H25FN4O4 and a molecular weight of 524.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-methyl-5-[2-methyl-5-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide
PubChem CID142787133
Molecular FormulaC30H25FN4O4
Molecular Weight524.55 g/mol
Exact Mass524.19
IUPAC NameN-(4-fluorophenyl)-2-methyl-5-[2-methyl-5-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide
SMILESCc1noc(C2(NC(=O)c3ccc(C)c(-c4ccc5oc(C)c(C(=O)Nc6ccc(F)cc6)c5c4)c3)CC2)n1
InChIInChI=1S/C30H25FN4O4/c1-16-4-5-20(27(36)34-30(12-13-30)29-32-18(3)35-39-29)15-23(16)19-6-11-25-24(14-19)26(17(2)38-25)28(37)33-22-9-7-21(31)8-10-22/h4-11,14-15H,12-13H2,1-3H3,(H,33,37)(H,34,36)
InChIKeyXCVPGADFZYECDH-UHFFFAOYSA-N
XLogP6.22
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.55
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-methyl-5-[2-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 141381759
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
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-phenylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275443
N-fluoro-2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 87409425
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-methylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 143956964
5-[2-chloro-4-methoxy-5-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]carbamoyl]phenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide
CID 91174298
2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[(1-pyridin-3-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 91512542
5-[5-[[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclopropyl]carbamoyl]-2-methylphenyl]-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide
CID 90763506
2-[(4-fluorophenyl)methyl]-5-[2-methyl-5-[[1-(1,5-naphthyridin-2-yl)cyclopropyl]carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 123186297
[[1-[[3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-4-methylbenzoyl]amino]cyclopropanecarbonyl]amino]carbamic acid
CID 67211581
3-chloro-4-fluoro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzamide
CID 53181987

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc(C2(NC(=O)c3ccc(C)c(-c4ccc5oc(C)c(C(=O)Nc6ccc(F)cc6)c5c4)c3)CC2)n1.
What is the InChIKey of 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?
The InChIKey is XCVPGADFZYECDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN4O4/c1-16-4-5-20(27(36)34-30(12-13-30)29-32-18(3)35-39-29)15-23(16)19-6-11-25-24(14-19)26(17(2)38-25)28(37)33-22-9-7-21(31)8-10-22/h4-11,14-15H,12-13H2,1-3H3,(H,33,37)(H,34,36).
What are the key properties of 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?
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 has a molecular weight of 524.55 g/mol, XLogP of 6.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142787133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).