N-[3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]formamide

C18H14N4O2 — CID 174976555

IUPACN-[3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]formamide
SMILESO=CNc1cc(-c2ccc(Cn3ncc4ccccc43)cc2)no1
InChIInChI=1S/C18H14N4O2/c23-12-19-18-9-16(21-24-18)14-7-5-13(6-8-14)11-22-17-4-2-1-3-15(17)10-20-22/h1-10,12H,11H2,(H,19,23)
InChIKeyUATMHRIPNFEKNC-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.31
Rot. Bonds5

About N-[3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]formamide

N-[3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]formamide (PubChem CID 174976555) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-[3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]formamide.

Molecular Properties

Compound NameN-[3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]formamide
PubChem CID174976555
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC NameN-[3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]formamide
SMILESO=CNc1cc(-c2ccc(Cn3ncc4ccccc43)cc2)no1
InChIInChI=1S/C18H14N4O2/c23-12-19-18-9-16(21-24-18)14-7-5-13(6-8-14)11-22-17-4-2-1-3-15(17)10-20-22/h1-10,12H,11H2,(H,19,23)
InChIKeyUATMHRIPNFEKNC-UHFFFAOYSA-N
XLogP3.31
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide;3-[4-(indazol-2-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 159866930
N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-2-indazol-1-ylacetamide
CID 20885367
N-[[4-(indazol-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62449389
[2-[4-(indazol-1-ylmethyl)phenyl]-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 25204503
2-[4-(indazol-1-ylmethyl)phenyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 163699896
N-[[5-(indazol-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62448270
N-hydroxy-4-(indazol-1-ylmethyl)-N-methylbenzamide
CID 168655042
1-[(4-phenylphenyl)methyl]indazole-5-carboxylic acid
CID 169187967
1-[(3-bromo-4-methoxyphenyl)methyl]indazole
CID 62140207
2-[4-(indazol-1-ylmethyl)phenyl]-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
CID 25204504
6-(indazol-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 66717199
5-(indazol-1-ylmethyl)furan-2-carbohydrazide
CID 63578154

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]formamide?
The IUPAC name of N-[3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]formamide (CID 174976555) is N-[3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]formamide.
What is the SMILES notation for N-[3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]formamide?
The canonical SMILES for N-[3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]formamide is O=CNc1cc(-c2ccc(Cn3ncc4ccccc43)cc2)no1.
What is the InChIKey of N-[3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]formamide?
The InChIKey is UATMHRIPNFEKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-12-19-18-9-16(21-24-18)14-7-5-13(6-8-14)11-22-17-4-2-1-3-15(17)10-20-22/h1-10,12H,11H2,(H,19,23).
What are the key properties of N-[3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]formamide?
N-[3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]formamide has a molecular weight of 318.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(indazol-1-ylmethyl)phenyl]-1,2-oxazol-5-yl]formamide is sourced from PubChem (CID 174976555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).