2-(indol-1-ylmethyl)-4,5-dihydro-1,3-oxazole

C12H12N2O — CID 86050548

IUPAC2-(indol-1-ylmethyl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc2c(c1)ccn2CC1=NCCO1
InChIInChI=1S/C12H12N2O/c1-2-4-11-10(3-1)5-7-14(11)9-12-13-6-8-15-12/h1-5,7H,6,8-9H2
InChIKeyVESXDUKFMULKKH-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.07
Rot. Bonds2

About 2-(indol-1-ylmethyl)-4,5-dihydro-1,3-oxazole

2-(indol-1-ylmethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 86050548) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(indol-1-ylmethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(indol-1-ylmethyl)-4,5-dihydro-1,3-oxazole
PubChem CID86050548
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-(indol-1-ylmethyl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc2c(c1)ccn2CC1=NCCO1
InChIInChI=1S/C12H12N2O/c1-2-4-11-10(3-1)5-7-14(11)9-12-13-6-8-15-12/h1-5,7H,6,8-9H2
InChIKeyVESXDUKFMULKKH-UHFFFAOYSA-N
XLogP2.07
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(indol-1-ylmethyl)-4,5-dihydro-1,3-oxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(indol-1-ylmethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(indol-1-ylmethyl)-4,5-dihydro-1,3-oxazole (CID 86050548) is 2-(indol-1-ylmethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(indol-1-ylmethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(indol-1-ylmethyl)-4,5-dihydro-1,3-oxazole is c1ccc2c(c1)ccn2CC1=NCCO1.
What is the InChIKey of 2-(indol-1-ylmethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is VESXDUKFMULKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-4-11-10(3-1)5-7-14(11)9-12-13-6-8-15-12/h1-5,7H,6,8-9H2.
What are the key properties of 2-(indol-1-ylmethyl)-4,5-dihydro-1,3-oxazole?
2-(indol-1-ylmethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 200.24 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(indol-1-ylmethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 86050548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).