(3-methyl-1,2-oxazol-5-yl)methyl 2-methyl-1H-indole-3-carboxylate

C15H14N2O3 — CID 18100055

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 2-methyl-1H-indole-3-carboxylate
SMILESCc1cc(COC(=O)c2c(C)[nH]c3ccccc23)on1
InChIInChI=1S/C15H14N2O3/c1-9-7-11(20-17-9)8-19-15(18)14-10(2)16-13-6-4-3-5-12(13)14/h3-7,16H,8H2,1-2H3
InChIKeyOWNKDDWNAOPGAG-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.13
Rot. Bonds3

About (3-methyl-1,2-oxazol-5-yl)methyl 2-methyl-1H-indole-3-carboxylate

(3-methyl-1,2-oxazol-5-yl)methyl 2-methyl-1H-indole-3-carboxylate (PubChem CID 18100055) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 2-methyl-1H-indole-3-carboxylate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 2-methyl-1H-indole-3-carboxylate
PubChem CID18100055
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 2-methyl-1H-indole-3-carboxylate
SMILESCc1cc(COC(=O)c2c(C)[nH]c3ccccc23)on1
InChIInChI=1S/C15H14N2O3/c1-9-7-11(20-17-9)8-19-15(18)14-10(2)16-13-6-4-3-5-12(13)14/h3-7,16H,8H2,1-2H3
InChIKeyOWNKDDWNAOPGAG-UHFFFAOYSA-N
XLogP3.13
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-methyl-1H-indole-3-carboxylate
CID 99813436
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
(3-methyl-1,2-oxazol-5-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 9477490
(3-chloro-4-propan-2-yloxyphenyl)methyl 2-methyl-1H-indole-3-carboxylate
CID 167895013
(3-methyl-1,2-oxazol-5-yl)methyl 3-hydroxy-4-methylbenzoate
CID 18123565
(3-methyl-1,2-oxazol-5-yl)methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 9477863
ethyl 2-amino-1H-indole-3-carboxylate
CID 1476606
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] benzoate
CID 2689613
benzyl 2-methyl-5-(pentafluoro-λ6-sulfanyl)-1H-indole-3-carboxylate
CID 132566613
(3-methyl-1,2-oxazol-5-yl)methyl 2-(4-chlorobenzoyl)benzoate
CID 18098467
benzyl 2-methyl-6-(pentafluoro-λ6-sulfanyl)-1H-indole-3-carboxylate
CID 132566619
ethyl 3-methyl-1-oxo-2H-isoquinoline-4-carboxylate
CID 12677994

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 2-methyl-1H-indole-3-carboxylate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 2-methyl-1H-indole-3-carboxylate (CID 18100055) is (3-methyl-1,2-oxazol-5-yl)methyl 2-methyl-1H-indole-3-carboxylate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 2-methyl-1H-indole-3-carboxylate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 2-methyl-1H-indole-3-carboxylate is Cc1cc(COC(=O)c2c(C)[nH]c3ccccc23)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 2-methyl-1H-indole-3-carboxylate?
The InChIKey is OWNKDDWNAOPGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-9-7-11(20-17-9)8-19-15(18)14-10(2)16-13-6-4-3-5-12(13)14/h3-7,16H,8H2,1-2H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 2-methyl-1H-indole-3-carboxylate?
(3-methyl-1,2-oxazol-5-yl)methyl 2-methyl-1H-indole-3-carboxylate has a molecular weight of 270.29 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl 2-methyl-1H-indole-3-carboxylate is sourced from PubChem (CID 18100055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).