2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroindol-3-yl]acetic acid

C16H18N2O3 — CID 80576163

IUPAC2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroindol-3-yl]acetic acid
SMILESCc1noc(C)c1CN1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C16H18N2O3/c1-10-14(11(2)21-17-10)9-18-8-12(7-16(19)20)13-5-3-4-6-15(13)18/h3-6,12H,7-9H2,1-2H3,(H,19,20)
InChIKeyDUGCTDBQMIWGHK-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.87
Rot. Bonds4

About 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroindol-3-yl]acetic acid

2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroindol-3-yl]acetic acid (PubChem CID 80576163) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroindol-3-yl]acetic acid
PubChem CID80576163
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroindol-3-yl]acetic acid
SMILESCc1noc(C)c1CN1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C16H18N2O3/c1-10-14(11(2)21-17-10)9-18-8-12(7-16(19)20)13-5-3-4-6-15(13)18/h3-6,12H,7-9H2,1-2H3,(H,19,20)
InChIKeyDUGCTDBQMIWGHK-UHFFFAOYSA-N
XLogP2.87
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroindol-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-2,3-dihydroindol-3-yl]acetic acid
CID 138041171
2-[1-[[4-(hydroxymethyl)phenyl]methyl]-2,3-dihydroindol-3-yl]acetic acid
CID 166178722
2-[1-[(2-bromophenyl)methyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80576160
2-[1-(2-amino-2-oxoethyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80578328
2-[1-[(1-ethylimidazol-2-yl)methyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80575607
2-[1-(3,3-dimethylbutyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80578270
2-[1-(4-methylpentyl)-2,3-dihydroindol-3-yl]acetic acid
CID 83157358
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]urea
CID 47866062
2-[1-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydroindol-3-yl]acetic acid
CID 114528792
2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
CID 97280098
4-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-3,5-dimethyl-1,2-oxazole
CID 83510648
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-phenylacetamide
CID 75461556

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroindol-3-yl]acetic acid (CID 80576163) is 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroindol-3-yl]acetic acid is Cc1noc(C)c1CN1CC(CC(=O)O)c2ccccc21.
What is the InChIKey of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroindol-3-yl]acetic acid?
The InChIKey is DUGCTDBQMIWGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-14(11(2)21-17-10)9-18-8-12(7-16(19)20)13-5-3-4-6-15(13)18/h3-6,12H,7-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroindol-3-yl]acetic acid?
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroindol-3-yl]acetic acid has a molecular weight of 286.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 80576163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).