(4-chloro-3,3-dimethyl-2H-indol-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone

C16H17ClN2O3 — CID 71995010

IUPAC(4-chloro-3,3-dimethyl-2H-indol-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCOCc1cc(C(=O)N2CC(C)(C)c3c(Cl)cccc32)no1
InChIInChI=1S/C16H17ClN2O3/c1-16(2)9-19(13-6-4-5-11(17)14(13)16)15(20)12-7-10(8-21-3)22-18-12/h4-7H,8-9H2,1-3H3
InChIKeyJGLKQPQSXRQUCX-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.41
Rot. Bonds3

About (4-chloro-3,3-dimethyl-2H-indol-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone

(4-chloro-3,3-dimethyl-2H-indol-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone (PubChem CID 71995010) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is (4-chloro-3,3-dimethyl-2H-indol-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(4-chloro-3,3-dimethyl-2H-indol-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
PubChem CID71995010
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name(4-chloro-3,3-dimethyl-2H-indol-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCOCc1cc(C(=O)N2CC(C)(C)c3c(Cl)cccc32)no1
InChIInChI=1S/C16H17ClN2O3/c1-16(2)9-19(13-6-4-5-11(17)14(13)16)15(20)12-7-10(8-21-3)22-18-12/h4-7H,8-9H2,1-3H3
InChIKeyJGLKQPQSXRQUCX-UHFFFAOYSA-N
XLogP3.41
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-3,3-dimethyl-2H-indol-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of (4-chloro-3,3-dimethyl-2H-indol-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone (CID 71995010) is (4-chloro-3,3-dimethyl-2H-indol-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (4-chloro-3,3-dimethyl-2H-indol-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (4-chloro-3,3-dimethyl-2H-indol-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone is COCc1cc(C(=O)N2CC(C)(C)c3c(Cl)cccc32)no1.
What is the InChIKey of (4-chloro-3,3-dimethyl-2H-indol-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is JGLKQPQSXRQUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-16(2)9-19(13-6-4-5-11(17)14(13)16)15(20)12-7-10(8-21-3)22-18-12/h4-7H,8-9H2,1-3H3.
What are the key properties of (4-chloro-3,3-dimethyl-2H-indol-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
(4-chloro-3,3-dimethyl-2H-indol-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 320.78 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3,3-dimethyl-2H-indol-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 71995010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).