2-[(Z)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidenemethyl]-1,3-benzoxazole

C19H15N3O — CID 24852551

IUPAC2-[(Z)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidenemethyl]-1,3-benzoxazole
SMILESC(=C1\NCCc2c1[nH]c1ccccc21)\c1nc2ccccc2o1
InChIInChI=1S/C19H15N3O/c1-2-6-14-12(5-1)13-9-10-20-16(19(13)22-14)11-18-21-15-7-3-4-8-17(15)23-18/h1-8,11,20,22H,9-10H2/b16-11-
InChIKeySRDQRRJDBDKYGR-WJDWOHSUSA-N
MW301.35 g/mol
LogP3.95
Rot. Bonds1

About 2-[(Z)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidenemethyl]-1,3-benzoxazole

2-[(Z)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidenemethyl]-1,3-benzoxazole (PubChem CID 24852551) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[(Z)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidenemethyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(Z)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidenemethyl]-1,3-benzoxazole
PubChem CID24852551
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name2-[(Z)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidenemethyl]-1,3-benzoxazole
SMILESC(=C1\NCCc2c1[nH]c1ccccc21)\c1nc2ccccc2o1
InChIInChI=1S/C19H15N3O/c1-2-6-14-12(5-1)13-9-10-20-16(19(13)22-14)11-18-21-15-7-3-4-8-17(15)23-18/h1-8,11,20,22H,9-10H2/b16-11-
InChIKeySRDQRRJDBDKYGR-WJDWOHSUSA-N
XLogP3.95
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidenemethyl]-1,3-benzoxazole?
The IUPAC name of 2-[(Z)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidenemethyl]-1,3-benzoxazole (CID 24852551) is 2-[(Z)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidenemethyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(Z)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidenemethyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(Z)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidenemethyl]-1,3-benzoxazole is C(=C1\NCCc2c1[nH]c1ccccc21)\c1nc2ccccc2o1.
What is the InChIKey of 2-[(Z)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidenemethyl]-1,3-benzoxazole?
The InChIKey is SRDQRRJDBDKYGR-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H15N3O/c1-2-6-14-12(5-1)13-9-10-20-16(19(13)22-14)11-18-21-15-7-3-4-8-17(15)23-18/h1-8,11,20,22H,9-10H2/b16-11-.
What are the key properties of 2-[(Z)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidenemethyl]-1,3-benzoxazole?
2-[(Z)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidenemethyl]-1,3-benzoxazole has a molecular weight of 301.35 g/mol, XLogP of 3.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidenemethyl]-1,3-benzoxazole is sourced from PubChem (CID 24852551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).