methyl 2-methyl-5-(1-methylindol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate

C15H16N2O3 — CID 139762872

IUPACmethyl 2-methyl-5-(1-methylindol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1N=C(C)OC1c1cc2ccccc2n1C
InChIInChI=1S/C15H16N2O3/c1-9-16-13(15(18)19-3)14(20-9)12-8-10-6-4-5-7-11(10)17(12)2/h4-8,13-14H,1-3H3
InChIKeyZDKPOCZDNPWKSZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.21
Rot. Bonds2

About methyl 2-methyl-5-(1-methylindol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate

methyl 2-methyl-5-(1-methylindol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 139762872) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 2-methyl-5-(1-methylindol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-(1-methylindol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID139762872
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namemethyl 2-methyl-5-(1-methylindol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)C1N=C(C)OC1c1cc2ccccc2n1C
InChIInChI=1S/C15H16N2O3/c1-9-16-13(15(18)19-3)14(20-9)12-8-10-6-4-5-7-11(10)17(12)2/h4-8,13-14H,1-3H3
InChIKeyZDKPOCZDNPWKSZ-UHFFFAOYSA-N
XLogP2.21
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-5-(1-methylbenzimidazol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762789
dimethyl (3R,4R,5S)-2-methyl-3-(1-methylindol-2-yl)-1,2-oxazolidine-4,5-dicarboxylate
CID 10830397
dimethyl (3R,4S,5R)-2-methyl-3-(1-methylindol-2-yl)-1,2-oxazolidine-4,5-dicarboxylate
CID 10782792
methyl 5-(5-chlorothiophen-2-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762891
methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate
CID 113087974
methyl 2-(1-methylindol-2-yl)-2,3-dihydro-1-benzofuran-5-carboxylate
CID 11174273
methyl 5-(6-bromo-2-ethyl-1,3-benzodioxol-5-yl)-2-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139711393
(2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088442
methyl 1-oxo-2,3-dihydropyrrolo[1,2-a]indole-2-carboxylate
CID 134303472
methyl 2-(1-methylindol-2-yl)sulfanylacetate
CID 10704919
methyl 1-methylindole-2-carboperoxoate
CID 140791750
methyl (4S,5R)-5-(5-methylthiophen-2-yl)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 139762865

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-(1-methylindol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-methyl-5-(1-methylindol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 139762872) is methyl 2-methyl-5-(1-methylindol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-(1-methylindol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-methyl-5-(1-methylindol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate is COC(=O)C1N=C(C)OC1c1cc2ccccc2n1C.
What is the InChIKey of methyl 2-methyl-5-(1-methylindol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is ZDKPOCZDNPWKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-16-13(15(18)19-3)14(20-9)12-8-10-6-4-5-7-11(10)17(12)2/h4-8,13-14H,1-3H3.
What are the key properties of methyl 2-methyl-5-(1-methylindol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
methyl 2-methyl-5-(1-methylindol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-(1-methylindol-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 139762872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).