4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,2-oxazole

C13H14N2O — CID 121174038

IUPAC4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,2-oxazole
SMILESCc1oncc1CN1CCc2ccccc21
InChIInChI=1S/C13H14N2O/c1-10-12(8-14-16-10)9-15-7-6-11-4-2-3-5-13(11)15/h2-5,8H,6-7,9H2,1H3
InChIKeyDJDNZXXKWBLJBF-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.55
Rot. Bonds2

About 4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,2-oxazole

4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,2-oxazole (PubChem CID 121174038) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,2-oxazole
PubChem CID121174038
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,2-oxazole
SMILESCc1oncc1CN1CCc2ccccc21
InChIInChI=1S/C13H14N2O/c1-10-12(8-14-16-10)9-15-7-6-11-4-2-3-5-13(11)15/h2-5,8H,6-7,9H2,1H3
InChIKeyDJDNZXXKWBLJBF-UHFFFAOYSA-N
XLogP2.55
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(5-methyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]ethanone
CID 126778411
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-trimethylsilane
CID 103438257
1-[(2-chloro-3-pyridinyl)methyl]-2,3-dihydroindole
CID 62470174
3-(2,3-dihydroindol-1-ylmethyl)-N-methylpyridin-2-amine
CID 55075498
4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzonitrile
CID 114480954
4-(2,3-dihydroindol-1-ylmethyl)-1H-pyrazole-5-carboxylic acid
CID 117216569
1-(furan-2-ylmethyl)-2,3-dihydroindole
CID 14884168
2-chloro-3-(2,3-dihydroindol-1-ylmethyl)quinoline
CID 60669763
5-(2,3-dihydroindol-1-ylmethyl)-1-ethylpyrazol-4-amine
CID 117217840
3-(2,3-dihydroindol-1-ylmethyl)quinolin-2-amine
CID 62178051
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dihydroindole
CID 141099377

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,2-oxazole?
The IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,2-oxazole (CID 121174038) is 4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,2-oxazole.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,2-oxazole?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,2-oxazole is Cc1oncc1CN1CCc2ccccc21.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,2-oxazole?
The InChIKey is DJDNZXXKWBLJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10-12(8-14-16-10)9-15-7-6-11-4-2-3-5-13(11)15/h2-5,8H,6-7,9H2,1H3.
What are the key properties of 4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,2-oxazole?
4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,2-oxazole has a molecular weight of 214.27 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,2-oxazole is sourced from PubChem (CID 121174038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).