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

C24H18N4O2 — CID 10178740

IUPACN-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]benzamide
SMILESCc1ccc2nc(-c3cn[nH]c3-c3cccc(NC(=O)c4ccccc4)c3)oc2c1
InChIInChI=1S/C24H18N4O2/c1-15-10-11-20-21(12-15)30-24(27-20)19-14-25-28-22(19)17-8-5-9-18(13-17)26-23(29)16-6-3-2-4-7-16/h2-14H,1H3,(H,25,28)(H,26,29)
InChIKeyRKMAYPRFXFNKOZ-UHFFFAOYSA-N
MW394.43 g/mol
LogP5.45
Rot. Bonds4

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

N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]benzamide (PubChem CID 10178740) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]benzamide
PubChem CID10178740
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC NameN-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]benzamide
SMILESCc1ccc2nc(-c3cn[nH]c3-c3cccc(NC(=O)c4ccccc4)c3)oc2c1
InChIInChI=1S/C24H18N4O2/c1-15-10-11-20-21(12-15)30-24(27-20)19-14-25-28-22(19)17-8-5-9-18(13-17)26-23(29)16-6-3-2-4-7-16/h2-14H,1H3,(H,25,28)(H,26,29)
InChIKeyRKMAYPRFXFNKOZ-UHFFFAOYSA-N
XLogP5.45
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.45
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]benzamide?
The IUPAC name of N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]benzamide (CID 10178740) is N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]benzamide.
What is the SMILES notation for N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]benzamide?
The canonical SMILES for N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]benzamide is Cc1ccc2nc(-c3cn[nH]c3-c3cccc(NC(=O)c4ccccc4)c3)oc2c1.
What is the InChIKey of N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]benzamide?
The InChIKey is RKMAYPRFXFNKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c1-15-10-11-20-21(12-15)30-24(27-20)19-14-25-28-22(19)17-8-5-9-18(13-17)26-23(29)16-6-3-2-4-7-16/h2-14H,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]benzamide?
N-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]benzamide has a molecular weight of 394.43 g/mol, XLogP of 5.45, 4 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]benzamide is sourced from PubChem (CID 10178740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).