N-(1-benzylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C18H18N4O2 — CID 146220575

IUPACN-(1-benzylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1noc2c1CCCC2
InChIInChI=1S/C18H18N4O2/c23-18(17-15-8-4-5-9-16(15)24-21-17)20-14-10-19-22(12-14)11-13-6-2-1-3-7-13/h1-3,6-7,10,12H,4-5,8-9,11H2,(H,20,23)
InChIKeyUCLVWBWUFFDDFF-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.05
Rot. Bonds4

About N-(1-benzylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-(1-benzylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 146220575) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID146220575
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(1-benzylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1noc2c1CCCC2
InChIInChI=1S/C18H18N4O2/c23-18(17-15-8-4-5-9-16(15)24-21-17)20-14-10-19-22(12-14)11-13-6-2-1-3-7-13/h1-3,6-7,10,12H,4-5,8-9,11H2,(H,20,23)
InChIKeyUCLVWBWUFFDDFF-UHFFFAOYSA-N
XLogP3.05
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 146220575) is N-(1-benzylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)c1noc2c1CCCC2.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is UCLVWBWUFFDDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-18(17-15-8-4-5-9-16(15)24-21-17)20-14-10-19-22(12-14)11-13-6-2-1-3-7-13/h1-3,6-7,10,12H,4-5,8-9,11H2,(H,20,23).
What are the key properties of N-(1-benzylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 146220575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).