methyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-2,3-dihydroindole-5-carboxylate

C19H22N2O4 — CID 71874787

IUPACmethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)C(C)Cc1c(C)noc1C
InChIInChI=1S/C19H22N2O4/c1-11(9-16-12(2)20-25-13(16)3)18(22)21-8-7-14-10-15(19(23)24-4)5-6-17(14)21/h5-6,10-11H,7-9H2,1-4H3
InChIKeyPBBFWBHMWHNONC-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.85
Rot. Bonds4

About methyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-2,3-dihydroindole-5-carboxylate

methyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-2,3-dihydroindole-5-carboxylate (PubChem CID 71874787) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-2,3-dihydroindole-5-carboxylate
PubChem CID71874787
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Namemethyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)C(C)Cc1c(C)noc1C
InChIInChI=1S/C19H22N2O4/c1-11(9-16-12(2)20-25-13(16)3)18(22)21-8-7-14-10-15(19(23)24-4)5-6-17(14)21/h5-6,10-11H,7-9H2,1-4H3
InChIKeyPBBFWBHMWHNONC-UHFFFAOYSA-N
XLogP2.85
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-2,3-dihydroindole-5-carboxylate with MolForge

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Related Compounds

methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917334
methyl 1-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]-2,3-dihydroindole-5-carboxylate
CID 42896690
methyl 1-[2-(3-methylphenoxy)propanoyl]-2,3-dihydroindole-5-carboxylate
CID 134033414
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 42896932
methyl 1-(3,3-dimethylbutanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917336
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
methyl 1-[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]-2,3-dihydroindole-5-carboxylate
CID 55514242
methyl 1-(2-phenoxy-2-phenylacetyl)-2,3-dihydroindole-5-carboxylate
CID 55758876
methyl 1-[3-(4-propan-2-ylphenyl)propanoyl]-2,3-dihydroindole-5-carboxylate
CID 55775940
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46543036
methyl 1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-5-carboxylate
CID 55686184
methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylbenzoate
CID 36587966

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-2,3-dihydroindole-5-carboxylate?
The IUPAC name of methyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-2,3-dihydroindole-5-carboxylate (CID 71874787) is methyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for methyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for methyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-2,3-dihydroindole-5-carboxylate is COC(=O)c1ccc2c(c1)CCN2C(=O)C(C)Cc1c(C)noc1C.
What is the InChIKey of methyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-2,3-dihydroindole-5-carboxylate?
The InChIKey is PBBFWBHMWHNONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-11(9-16-12(2)20-25-13(16)3)18(22)21-8-7-14-10-15(19(23)24-4)5-6-17(14)21/h5-6,10-11H,7-9H2,1-4H3.
What are the key properties of methyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-2,3-dihydroindole-5-carboxylate?
methyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-2,3-dihydroindole-5-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 71874787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).