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

C12H12N2O — CID 173051883

IUPAC2-(1H-indol-2-ylmethyl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc2[nH]c(CC3=NCCO3)cc2c1
InChIInChI=1S/C12H12N2O/c1-2-4-11-9(3-1)7-10(14-11)8-12-13-5-6-15-12/h1-4,7,14H,5-6,8H2
InChIKeySYHHNZPDAAKXLA-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.14
Rot. Bonds2

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

2-(1H-indol-2-ylmethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 173051883) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(1H-indol-2-ylmethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(1H-indol-2-ylmethyl)-4,5-dihydro-1,3-oxazole
PubChem CID173051883
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-(1H-indol-2-ylmethyl)-4,5-dihydro-1,3-oxazole
SMILESc1ccc2[nH]c(CC3=NCCO3)cc2c1
InChIInChI=1S/C12H12N2O/c1-2-4-11-9(3-1)7-10(14-11)8-12-13-5-6-15-12/h1-4,7,14H,5-6,8H2
InChIKeySYHHNZPDAAKXLA-UHFFFAOYSA-N
XLogP2.14
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-2-ylmethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(1H-indol-2-ylmethyl)-4,5-dihydro-1,3-oxazole (CID 173051883) is 2-(1H-indol-2-ylmethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(1H-indol-2-ylmethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(1H-indol-2-ylmethyl)-4,5-dihydro-1,3-oxazole is c1ccc2[nH]c(CC3=NCCO3)cc2c1.
What is the InChIKey of 2-(1H-indol-2-ylmethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is SYHHNZPDAAKXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-4-11-9(3-1)7-10(14-11)8-12-13-5-6-15-12/h1-4,7,14H,5-6,8H2.
What are the key properties of 2-(1H-indol-2-ylmethyl)-4,5-dihydro-1,3-oxazole?
2-(1H-indol-2-ylmethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 200.24 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-2-ylmethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 173051883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).