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

C17H18N2O4 — CID 138041171

IUPAC2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-2,3-dihydroindol-3-yl]acetic acid
SMILESCc1noc(C)c1CC(=O)N1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C17H18N2O4/c1-10-14(11(2)23-18-10)8-16(20)19-9-12(7-17(21)22)13-5-3-4-6-15(13)19/h3-6,12H,7-9H2,1-2H3,(H,21,22)
InChIKeyYALSRSQNHISACQ-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.44
Rot. Bonds4

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

2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-2,3-dihydroindol-3-yl]acetic acid (PubChem CID 138041171) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-2,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-2,3-dihydroindol-3-yl]acetic acid
PubChem CID138041171
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-2,3-dihydroindol-3-yl]acetic acid
SMILESCc1noc(C)c1CC(=O)N1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C17H18N2O4/c1-10-14(11(2)23-18-10)8-16(20)19-9-12(7-17(21)22)13-5-3-4-6-15(13)19/h3-6,12H,7-9H2,1-2H3,(H,21,22)
InChIKeyYALSRSQNHISACQ-UHFFFAOYSA-N
XLogP2.44
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80576163
2-[1-(2-aminoacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573375
2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid
CID 79024077
2-[1-(2-methylsulfonylacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573660
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone
CID 43035214
2-[1-(4-amino-4-methylpentanoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80572965
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 8834200
2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573957
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564886
2-[1-(5-methyl-1H-pyrazole-4-carbonyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80571933
2-[1-[2-(methylamino)propanoyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80573414
1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 134706455

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-2,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-2,3-dihydroindol-3-yl]acetic acid (CID 138041171) is 2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-2,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-2,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-2,3-dihydroindol-3-yl]acetic acid is Cc1noc(C)c1CC(=O)N1CC(CC(=O)O)c2ccccc21.
What is the InChIKey of 2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-2,3-dihydroindol-3-yl]acetic acid?
The InChIKey is YALSRSQNHISACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-10-14(11(2)23-18-10)8-16(20)19-9-12(7-17(21)22)13-5-3-4-6-15(13)19/h3-6,12H,7-9H2,1-2H3,(H,21,22).
What are the key properties of 2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-2,3-dihydroindol-3-yl]acetic acid?
2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-2,3-dihydroindol-3-yl]acetic acid has a molecular weight of 314.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-2,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 138041171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).