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

C28H24N4O2 — CID 10225738

IUPACN-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCc1ccc2nc(-c3cn[nH]c3-c3ccc(NC(=O)C4CCc5ccccc5C4)cc3)oc2c1
InChIInChI=1S/C28H24N4O2/c1-17-6-13-24-25(14-17)34-28(31-24)23-16-29-32-26(23)19-9-11-22(12-10-19)30-27(33)21-8-7-18-4-2-3-5-20(18)15-21/h2-6,9-14,16,21H,7-8,15H2,1H3,(H,29,32)(H,30,33)
InChIKeyALRGJWMHPTYFOY-UHFFFAOYSA-N
MW448.53 g/mol
LogP5.94
Rot. Bonds4

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

N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 10225738) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID10225738
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC NameN-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCc1ccc2nc(-c3cn[nH]c3-c3ccc(NC(=O)C4CCc5ccccc5C4)cc3)oc2c1
InChIInChI=1S/C28H24N4O2/c1-17-6-13-24-25(14-17)34-28(31-24)23-16-29-32-26(23)19-9-11-22(12-10-19)30-27(33)21-8-7-18-4-2-3-5-20(18)15-21/h2-6,9-14,16,21H,7-8,15H2,1H3,(H,29,32)(H,30,33)
InChIKeyALRGJWMHPTYFOY-UHFFFAOYSA-N
XLogP5.94
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 55.94
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]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 10225738) is N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is Cc1ccc2nc(-c3cn[nH]c3-c3ccc(NC(=O)C4CCc5ccccc5C4)cc3)oc2c1.
What is the InChIKey of N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is ALRGJWMHPTYFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2/c1-17-6-13-24-25(14-17)34-28(31-24)23-16-29-32-26(23)19-9-11-22(12-10-19)30-27(33)21-8-7-18-4-2-3-5-20(18)15-21/h2-6,9-14,16,21H,7-8,15H2,1H3,(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]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 5.94, 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]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 10225738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).