N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide

C19H15ClN4O2 — CID 119068533

IUPACN-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCn1nc(CNC(=O)c2cnoc2-c2ccccc2)c2c(Cl)cccc21
InChIInChI=1S/C19H15ClN4O2/c1-24-16-9-5-8-14(20)17(16)15(23-24)11-21-19(25)13-10-22-26-18(13)12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,21,25)
InChIKeyUCGGZVGJLSLTKJ-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.81
Rot. Bonds4

About N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide

N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 119068533) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide
PubChem CID119068533
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC NameN-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCn1nc(CNC(=O)c2cnoc2-c2ccccc2)c2c(Cl)cccc21
InChIInChI=1S/C19H15ClN4O2/c1-24-16-9-5-8-14(20)17(16)15(23-24)11-21-19(25)13-10-22-26-18(13)12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,21,25)
InChIKeyUCGGZVGJLSLTKJ-UHFFFAOYSA-N
XLogP3.81
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide (CID 119068533) is N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide is Cn1nc(CNC(=O)c2cnoc2-c2ccccc2)c2c(Cl)cccc21.
What is the InChIKey of N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is UCGGZVGJLSLTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-24-16-9-5-8-14(20)17(16)15(23-24)11-21-19(25)13-10-22-26-18(13)12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,21,25).
What are the key properties of N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide?
N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 366.81 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 119068533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).