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

C28H20N4O2 — CID 10182000

IUPACN-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]naphthalene-1-carboxamide
SMILESCc1ccc2nc(-c3cn[nH]c3-c3ccc(NC(=O)c4cccc5ccccc45)cc3)oc2c1
InChIInChI=1S/C28H20N4O2/c1-17-9-14-24-25(15-17)34-28(31-24)23-16-29-32-26(23)19-10-12-20(13-11-19)30-27(33)22-8-4-6-18-5-2-3-7-21(18)22/h2-16H,1H3,(H,29,32)(H,30,33)
InChIKeySPLCVGAISLTZMA-UHFFFAOYSA-N
MW444.49 g/mol
LogP6.60
Rot. Bonds4

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

N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]naphthalene-1-carboxamide (PubChem CID 10182000) has the molecular formula C28H20N4O2 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]naphthalene-1-carboxamide
PubChem CID10182000
Molecular FormulaC28H20N4O2
Molecular Weight444.49 g/mol
Exact Mass444.16
IUPAC NameN-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]naphthalene-1-carboxamide
SMILESCc1ccc2nc(-c3cn[nH]c3-c3ccc(NC(=O)c4cccc5ccccc45)cc3)oc2c1
InChIInChI=1S/C28H20N4O2/c1-17-9-14-24-25(15-17)34-28(31-24)23-16-29-32-26(23)19-10-12-20(13-11-19)30-27(33)22-8-4-6-18-5-2-3-7-21(18)22/h2-16H,1H3,(H,29,32)(H,30,33)
InChIKeySPLCVGAISLTZMA-UHFFFAOYSA-N
XLogP6.60
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 56.60
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]naphthalene-1-carboxamide?
The IUPAC name of N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]naphthalene-1-carboxamide (CID 10182000) is N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]naphthalene-1-carboxamide is Cc1ccc2nc(-c3cn[nH]c3-c3ccc(NC(=O)c4cccc5ccccc45)cc3)oc2c1.
What is the InChIKey of N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]naphthalene-1-carboxamide?
The InChIKey is SPLCVGAISLTZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4O2/c1-17-9-14-24-25(15-17)34-28(31-24)23-16-29-32-26(23)19-10-12-20(13-11-19)30-27(33)22-8-4-6-18-5-2-3-7-21(18)22/h2-16H,1H3,(H,29,32)(H,30,33).
What are the key properties of N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]naphthalene-1-carboxamide?
N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]naphthalene-1-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 6.60, 4 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]naphthalene-1-carboxamide is sourced from PubChem (CID 10182000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).