N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1-(4-methylphenyl)cyclopentane-1-carboxamide

C30H28N4O2 — CID 10140440

IUPACN-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1-(4-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(C2(C(=O)Nc3ccc(-c4[nH]ncc4-c4nc5ccc(C)cc5o4)cc3)CCCC2)cc1
InChIInChI=1S/C30H28N4O2/c1-19-5-10-22(11-6-19)30(15-3-4-16-30)29(35)32-23-12-8-21(9-13-23)27-24(18-31-34-27)28-33-25-14-7-20(2)17-26(25)36-28/h5-14,17-18H,3-4,15-16H2,1-2H3,(H,31,34)(H,32,35)
InChIKeyAJWDTIGVUKTEQV-UHFFFAOYSA-N
MW476.58 g/mol
LogP6.95
Rot. Bonds5

About N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1-(4-methylphenyl)cyclopentane-1-carboxamide

N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1-(4-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 10140440) has the molecular formula C30H28N4O2 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1-(4-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1-(4-methylphenyl)cyclopentane-1-carboxamide
PubChem CID10140440
Molecular FormulaC30H28N4O2
Molecular Weight476.58 g/mol
Exact Mass476.22
IUPAC NameN-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1-(4-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(C2(C(=O)Nc3ccc(-c4[nH]ncc4-c4nc5ccc(C)cc5o4)cc3)CCCC2)cc1
InChIInChI=1S/C30H28N4O2/c1-19-5-10-22(11-6-19)30(15-3-4-16-30)29(35)32-23-12-8-21(9-13-23)27-24(18-31-34-27)28-33-25-14-7-20(2)17-26(25)36-28/h5-14,17-18H,3-4,15-16H2,1-2H3,(H,31,34)(H,32,35)
InChIKeyAJWDTIGVUKTEQV-UHFFFAOYSA-N
XLogP6.95
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1-(4-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1-(4-methylphenyl)cyclopentane-1-carboxamide (CID 10140440) is N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1-(4-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1-(4-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1-(4-methylphenyl)cyclopentane-1-carboxamide is Cc1ccc(C2(C(=O)Nc3ccc(-c4[nH]ncc4-c4nc5ccc(C)cc5o4)cc3)CCCC2)cc1.
What is the InChIKey of N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1-(4-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is AJWDTIGVUKTEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O2/c1-19-5-10-22(11-6-19)30(15-3-4-16-30)29(35)32-23-12-8-21(9-13-23)27-24(18-31-34-27)28-33-25-14-7-20(2)17-26(25)36-28/h5-14,17-18H,3-4,15-16H2,1-2H3,(H,31,34)(H,32,35).
What are the key properties of N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1-(4-methylphenyl)cyclopentane-1-carboxamide?
N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1-(4-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 6.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1-(4-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 10140440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).