2-[(6-chloroindol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole

C14H13ClN2O — CID 116620548

IUPAC2-[(6-chloroindol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Cn2ccc3ccc(Cl)cc32)oc1C
InChIInChI=1S/C14H13ClN2O/c1-9-10(2)18-14(16-9)8-17-6-5-11-3-4-12(15)7-13(11)17/h3-7H,8H2,1-2H3
InChIKeyNGIZAZFAVBNSTL-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.95
Rot. Bonds2

About 2-[(6-chloroindol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole

2-[(6-chloroindol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 116620548) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-[(6-chloroindol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(6-chloroindol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
PubChem CID116620548
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name2-[(6-chloroindol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Cn2ccc3ccc(Cl)cc32)oc1C
InChIInChI=1S/C14H13ClN2O/c1-9-10(2)18-14(16-9)8-17-6-5-11-3-4-12(15)7-13(11)17/h3-7H,8H2,1-2H3
InChIKeyNGIZAZFAVBNSTL-UHFFFAOYSA-N
XLogP3.95
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloroindol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[(6-chloroindol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole (CID 116620548) is 2-[(6-chloroindol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[(6-chloroindol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[(6-chloroindol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(Cn2ccc3ccc(Cl)cc32)oc1C.
What is the InChIKey of 2-[(6-chloroindol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is NGIZAZFAVBNSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-9-10(2)18-14(16-9)8-17-6-5-11-3-4-12(15)7-13(11)17/h3-7H,8H2,1-2H3.
What are the key properties of 2-[(6-chloroindol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole?
2-[(6-chloroindol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 260.72 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloroindol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 116620548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).