[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 1H-indole-3-carboxylate

C19H13ClN2O3 — CID 8607373

IUPAC[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 1H-indole-3-carboxylate
SMILESO=C(OCc1ncc(-c2ccc(Cl)cc2)o1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H13ClN2O3/c20-13-7-5-12(6-8-13)17-10-22-18(25-17)11-24-19(23)15-9-21-16-4-2-1-3-14(15)16/h1-10,21H,11H2
InChIKeyNBSCBTOLHZNAPF-UHFFFAOYSA-N
MW352.78 g/mol
LogP4.83
Rot. Bonds4

About [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 1H-indole-3-carboxylate

[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 1H-indole-3-carboxylate (PubChem CID 8607373) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 1H-indole-3-carboxylate
PubChem CID8607373
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC Name[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 1H-indole-3-carboxylate
SMILESO=C(OCc1ncc(-c2ccc(Cl)cc2)o1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H13ClN2O3/c20-13-7-5-12(6-8-13)17-10-22-18(25-17)11-24-19(23)15-9-21-16-4-2-1-3-14(15)16/h1-10,21H,11H2
InChIKeyNBSCBTOLHZNAPF-UHFFFAOYSA-N
XLogP4.83
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7492901
(2-fluorophenyl)methyl 1H-indole-3-carboxylate
CID 7492710
(5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate
CID 8861226
(5-phenyl-1,3-oxazol-2-yl)methyl 3,5-dichloro-4-methoxybenzoate
CID 9125999
4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]benzamide
CID 9356011
[2-(1H-indol-3-yl)-2-oxoethyl] 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxylate
CID 4857146
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-hydroxy-2-methyl-3-phenylbutanoate
CID 75424220
(5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-phenoxyethoxy)benzoate
CID 18205556
(5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-4-methoxybenzoate
CID 8509326
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate
CID 30166471
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8835792

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 1H-indole-3-carboxylate?
The IUPAC name of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 1H-indole-3-carboxylate (CID 8607373) is [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 1H-indole-3-carboxylate.
What is the SMILES notation for [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 1H-indole-3-carboxylate?
The canonical SMILES for [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 1H-indole-3-carboxylate is O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)c1c[nH]c2ccccc12.
What is the InChIKey of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 1H-indole-3-carboxylate?
The InChIKey is NBSCBTOLHZNAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/c20-13-7-5-12(6-8-13)17-10-22-18(25-17)11-24-19(23)15-9-21-16-4-2-1-3-14(15)16/h1-10,21H,11H2.
What are the key properties of [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 1H-indole-3-carboxylate?
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 1H-indole-3-carboxylate has a molecular weight of 352.78 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl 1H-indole-3-carboxylate is sourced from PubChem (CID 8607373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).