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

C31H24N4O2 — CID 10206299

IUPACN-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2,2-diphenylacetamide
SMILESCc1ccc2nc(-c3cn[nH]c3-c3cccc(NC(=O)C(c4ccccc4)c4ccccc4)c3)oc2c1
InChIInChI=1S/C31H24N4O2/c1-20-15-16-26-27(17-20)37-31(34-26)25-19-32-35-29(25)23-13-8-14-24(18-23)33-30(36)28(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-19,28H,1H3,(H,32,35)(H,33,36)
InChIKeyHMYSUYFEGZDOQT-UHFFFAOYSA-N
MW484.56 g/mol
LogP6.96
Rot. Bonds6

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

N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2,2-diphenylacetamide (PubChem CID 10206299) has the molecular formula C31H24N4O2 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2,2-diphenylacetamide
PubChem CID10206299
Molecular FormulaC31H24N4O2
Molecular Weight484.56 g/mol
Exact Mass484.19
IUPAC NameN-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2,2-diphenylacetamide
SMILESCc1ccc2nc(-c3cn[nH]c3-c3cccc(NC(=O)C(c4ccccc4)c4ccccc4)c3)oc2c1
InChIInChI=1S/C31H24N4O2/c1-20-15-16-26-27(17-20)37-31(34-26)25-19-32-35-29(25)23-13-8-14-24(18-23)33-30(36)28(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-19,28H,1H3,(H,32,35)(H,33,36)
InChIKeyHMYSUYFEGZDOQT-UHFFFAOYSA-N
XLogP6.96
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2,2-diphenylacetamide?
The IUPAC name of N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2,2-diphenylacetamide (CID 10206299) is N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2,2-diphenylacetamide is Cc1ccc2nc(-c3cn[nH]c3-c3cccc(NC(=O)C(c4ccccc4)c4ccccc4)c3)oc2c1.
What is the InChIKey of N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2,2-diphenylacetamide?
The InChIKey is HMYSUYFEGZDOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N4O2/c1-20-15-16-26-27(17-20)37-31(34-26)25-19-32-35-29(25)23-13-8-14-24(18-23)33-30(36)28(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-19,28H,1H3,(H,32,35)(H,33,36).
What are the key properties of N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2,2-diphenylacetamide?
N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2,2-diphenylacetamide has a molecular weight of 484.56 g/mol, XLogP of 6.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-2,2-diphenylacetamide is sourced from PubChem (CID 10206299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).