1H-indole;N-methylethanimine;1,3-oxazole

C14H17N3O — CID 143445359

IUPAC1H-indole;N-methylethanimine;1,3-oxazole
SMILESC/C=N/C.c1ccc2[nH]ccc2c1.c1cocn1
InChIInChI=1S/C8H7N.C3H3NO.C3H7N/c1-2-4-8-7(3-1)5-6-9-8;1-2-5-3-4-1;1-3-4-2/h1-6,9H;1-3H;3H,1-2H3/b;;4-3+
InChIKeyMHVIEOBYGQNRQI-VJJINTEWSA-N
MW243.31 g/mol
LogP3.55
Rot. Bonds

About 1H-indole;N-methylethanimine;1,3-oxazole

1H-indole;N-methylethanimine;1,3-oxazole (PubChem CID 143445359) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1H-indole;N-methylethanimine;1,3-oxazole.

Molecular Properties

Compound Name1H-indole;N-methylethanimine;1,3-oxazole
PubChem CID143445359
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1H-indole;N-methylethanimine;1,3-oxazole
SMILESC/C=N/C.c1ccc2[nH]ccc2c1.c1cocn1
InChIInChI=1S/C8H7N.C3H3NO.C3H7N/c1-2-4-8-7(3-1)5-6-9-8;1-2-5-3-4-1;1-3-4-2/h1-6,9H;1-3H;3H,1-2H3/b;;4-3+
InChIKeyMHVIEOBYGQNRQI-VJJINTEWSA-N
XLogP3.55
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-indole;N-methylethanimine;1,3-oxazole?
The IUPAC name of 1H-indole;N-methylethanimine;1,3-oxazole (CID 143445359) is 1H-indole;N-methylethanimine;1,3-oxazole.
What is the SMILES notation for 1H-indole;N-methylethanimine;1,3-oxazole?
The canonical SMILES for 1H-indole;N-methylethanimine;1,3-oxazole is C/C=N/C.c1ccc2[nH]ccc2c1.c1cocn1.
What is the InChIKey of 1H-indole;N-methylethanimine;1,3-oxazole?
The InChIKey is MHVIEOBYGQNRQI-VJJINTEWSA-N. The full InChI is InChI=1S/C8H7N.C3H3NO.C3H7N/c1-2-4-8-7(3-1)5-6-9-8;1-2-5-3-4-1;1-3-4-2/h1-6,9H;1-3H;3H,1-2H3/b;;4-3+.
What are the key properties of 1H-indole;N-methylethanimine;1,3-oxazole?
1H-indole;N-methylethanimine;1,3-oxazole has a molecular weight of 243.31 g/mol, XLogP of 3.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole;N-methylethanimine;1,3-oxazole is sourced from PubChem (CID 143445359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).