10-methyl-4,5-dihydro-[1,2]oxazolo[5,4-a]carbazole

C14H12N2O — CID 71817508

IUPAC10-methyl-4,5-dihydro-[1,2]oxazolo[5,4-a]carbazole
SMILESCn1c2c(c3ccccc31)CCc1cnoc1-2
InChIInChI=1S/C14H12N2O/c1-16-12-5-3-2-4-10(12)11-7-6-9-8-15-17-14(9)13(11)16/h2-5,8H,6-7H2,1H3
InChIKeyMYLNBUULUBUOTO-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.93
Rot. Bonds

About 10-methyl-4,5-dihydro-[1,2]oxazolo[5,4-a]carbazole

10-methyl-4,5-dihydro-[1,2]oxazolo[5,4-a]carbazole (PubChem CID 71817508) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 10-methyl-4,5-dihydro-[1,2]oxazolo[5,4-a]carbazole.

Molecular Properties

Compound Name10-methyl-4,5-dihydro-[1,2]oxazolo[5,4-a]carbazole
PubChem CID71817508
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name10-methyl-4,5-dihydro-[1,2]oxazolo[5,4-a]carbazole
SMILESCn1c2c(c3ccccc31)CCc1cnoc1-2
InChIInChI=1S/C14H12N2O/c1-16-12-5-3-2-4-10(12)11-7-6-9-8-15-17-14(9)13(11)16/h2-5,8H,6-7H2,1H3
InChIKeyMYLNBUULUBUOTO-UHFFFAOYSA-N
XLogP2.93
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-4,5-dihydro-[1,2]oxazolo[5,4-a]carbazole?
The IUPAC name of 10-methyl-4,5-dihydro-[1,2]oxazolo[5,4-a]carbazole (CID 71817508) is 10-methyl-4,5-dihydro-[1,2]oxazolo[5,4-a]carbazole.
What is the SMILES notation for 10-methyl-4,5-dihydro-[1,2]oxazolo[5,4-a]carbazole?
The canonical SMILES for 10-methyl-4,5-dihydro-[1,2]oxazolo[5,4-a]carbazole is Cn1c2c(c3ccccc31)CCc1cnoc1-2.
What is the InChIKey of 10-methyl-4,5-dihydro-[1,2]oxazolo[5,4-a]carbazole?
The InChIKey is MYLNBUULUBUOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-16-12-5-3-2-4-10(12)11-7-6-9-8-15-17-14(9)13(11)16/h2-5,8H,6-7H2,1H3.
What are the key properties of 10-methyl-4,5-dihydro-[1,2]oxazolo[5,4-a]carbazole?
10-methyl-4,5-dihydro-[1,2]oxazolo[5,4-a]carbazole has a molecular weight of 224.26 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-4,5-dihydro-[1,2]oxazolo[5,4-a]carbazole is sourced from PubChem (CID 71817508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).