N-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxamide

C18H14N4O2 — CID 68738395

IUPACN-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(-c2ccc3[nH]ncc3c2)on1
InChIInChI=1S/C18H14N4O2/c23-18(19-10-12-4-2-1-3-5-12)16-9-17(24-22-16)13-6-7-15-14(8-13)11-20-21-15/h1-9,11H,10H2,(H,19,23)(H,20,21)
InChIKeyYLMCZFNIIBKZNZ-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.15
Rot. Bonds4

About N-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxamide

N-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxamide (PubChem CID 68738395) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxamide
PubChem CID68738395
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC NameN-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(-c2ccc3[nH]ncc3c2)on1
InChIInChI=1S/C18H14N4O2/c23-18(19-10-12-4-2-1-3-5-12)16-9-17(24-22-16)13-6-7-15-14(8-13)11-20-21-15/h1-9,11H,10H2,(H,19,23)(H,20,21)
InChIKeyYLMCZFNIIBKZNZ-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxamide
CID 68723285
5-(1H-indazol-5-yl)-N-[(1S)-1-naphthalen-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 68990785
N-[(3-methylphenyl)methyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
CID 46092588
ethyl 5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylate;5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 158537593
N-(1H-indazol-6-ylmethyl)-2-phenylacetamide
CID 110472122
N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 52986105
N-(2-phenylethyl)-1H-indazole-5-carboxamide
CID 22933558
5-(1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 15993268
N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619586
N-[(4-fluorophenyl)methyl]-5-(2-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 135573171
N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261874
N-[(3-phenoxyphenyl)methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112838913

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxamide (CID 68738395) is N-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxamide is O=C(NCc1ccccc1)c1cc(-c2ccc3[nH]ncc3c2)on1.
What is the InChIKey of N-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is YLMCZFNIIBKZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-18(19-10-12-4-2-1-3-5-12)16-9-17(24-22-16)13-6-7-15-14(8-13)11-20-21-15/h1-9,11H,10H2,(H,19,23)(H,20,21).
What are the key properties of N-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxamide?
N-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 68738395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).