5-[(4-chloroindol-1-yl)methyl]-1,2-oxazole

C12H9ClN2O — CID 116623604

IUPAC5-[(4-chloroindol-1-yl)methyl]-1,2-oxazole
SMILESClc1cccc2c1ccn2Cc1ccno1
InChIInChI=1S/C12H9ClN2O/c13-11-2-1-3-12-10(11)5-7-15(12)8-9-4-6-14-16-9/h1-7H,8H2
InChIKeyLCCYLSNSEFJYQK-UHFFFAOYSA-N
MW232.67 g/mol
LogP3.33
Rot. Bonds2

About 5-[(4-chloroindol-1-yl)methyl]-1,2-oxazole

5-[(4-chloroindol-1-yl)methyl]-1,2-oxazole (PubChem CID 116623604) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 5-[(4-chloroindol-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[(4-chloroindol-1-yl)methyl]-1,2-oxazole
PubChem CID116623604
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name5-[(4-chloroindol-1-yl)methyl]-1,2-oxazole
SMILESClc1cccc2c1ccn2Cc1ccno1
InChIInChI=1S/C12H9ClN2O/c13-11-2-1-3-12-10(11)5-7-15(12)8-9-4-6-14-16-9/h1-7H,8H2
InChIKeyLCCYLSNSEFJYQK-UHFFFAOYSA-N
XLogP3.33
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-(pyridin-2-ylmethyl)indole
CID 116623601
4-chloro-1-[(3,5-dimethylphenyl)methyl]indole
CID 116623712
4-chloro-1-(furan-3-ylmethyl)indole
CID 116623869
4-chloro-1-[(2-chloro-3-fluorophenyl)methyl]indole
CID 116623871
4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 102620303
4-chloro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 106419843
4-chloro-1-(3-fluoropropyl)indole
CID 116623866
4-chloro-1-[(2,4-difluorophenyl)methyl]indole
CID 116623841
4-chloro-1-[(2,5-difluorophenyl)methyl]indole
CID 116623695
4-chloro-1-(2,3-dihydro-1H-imidazol-4-ylmethyl)indole
CID 69203960
4-chloro-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]indole
CID 116623800
1-[(2,6-dichlorophenyl)methyl]-4-fluoroindole
CID 82795364

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloroindol-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-[(4-chloroindol-1-yl)methyl]-1,2-oxazole (CID 116623604) is 5-[(4-chloroindol-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-[(4-chloroindol-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-[(4-chloroindol-1-yl)methyl]-1,2-oxazole is Clc1cccc2c1ccn2Cc1ccno1.
What is the InChIKey of 5-[(4-chloroindol-1-yl)methyl]-1,2-oxazole?
The InChIKey is LCCYLSNSEFJYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-11-2-1-3-12-10(11)5-7-15(12)8-9-4-6-14-16-9/h1-7H,8H2.
What are the key properties of 5-[(4-chloroindol-1-yl)methyl]-1,2-oxazole?
5-[(4-chloroindol-1-yl)methyl]-1,2-oxazole has a molecular weight of 232.67 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloroindol-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 116623604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).