N-(5-benzyl-1,3-oxazol-2-yl)-1H-indazole-3-carboxamide

C18H14N4O2 — CID 90656738

IUPACN-(5-benzyl-1,3-oxazol-2-yl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2)o1)c1n[nH]c2ccccc12
InChIInChI=1S/C18H14N4O2/c23-17(16-14-8-4-5-9-15(14)21-22-16)20-18-19-11-13(24-18)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,21,22)(H,19,20,23)
InChIKeyPCPOSQPEYCHKJP-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.39
Rot. Bonds4

About N-(5-benzyl-1,3-oxazol-2-yl)-1H-indazole-3-carboxamide

N-(5-benzyl-1,3-oxazol-2-yl)-1H-indazole-3-carboxamide (PubChem CID 90656738) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-(5-benzyl-1,3-oxazol-2-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-oxazol-2-yl)-1H-indazole-3-carboxamide
PubChem CID90656738
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC NameN-(5-benzyl-1,3-oxazol-2-yl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2)o1)c1n[nH]c2ccccc12
InChIInChI=1S/C18H14N4O2/c23-17(16-14-8-4-5-9-15(14)21-22-16)20-18-19-11-13(24-18)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,21,22)(H,19,20,23)
InChIKeyPCPOSQPEYCHKJP-UHFFFAOYSA-N
XLogP3.39
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-oxazol-2-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(5-benzyl-1,3-oxazol-2-yl)-1H-indazole-3-carboxamide (CID 90656738) is N-(5-benzyl-1,3-oxazol-2-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3-oxazol-2-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3-oxazol-2-yl)-1H-indazole-3-carboxamide is O=C(Nc1ncc(Cc2ccccc2)o1)c1n[nH]c2ccccc12.
What is the InChIKey of N-(5-benzyl-1,3-oxazol-2-yl)-1H-indazole-3-carboxamide?
The InChIKey is PCPOSQPEYCHKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-17(16-14-8-4-5-9-15(14)21-22-16)20-18-19-11-13(24-18)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,21,22)(H,19,20,23).
What are the key properties of N-(5-benzyl-1,3-oxazol-2-yl)-1H-indazole-3-carboxamide?
N-(5-benzyl-1,3-oxazol-2-yl)-1H-indazole-3-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-oxazol-2-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 90656738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).