5-(carbazol-9-ylmethyl)-3-phenyl-4,5-dihydro-1,2-oxazole

C22H18N2O — CID 4234325

IUPAC5-(carbazol-9-ylmethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESc1ccc(C2=NOC(Cn3c4ccccc4c4ccccc43)C2)cc1
InChIInChI=1S/C22H18N2O/c1-2-8-16(9-3-1)20-14-17(25-23-20)15-24-21-12-6-4-10-18(21)19-11-5-7-13-22(19)24/h1-13,17H,14-15H2
InChIKeyNPVVJFAKHILPMK-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.99
Rot. Bonds3

About 5-(carbazol-9-ylmethyl)-3-phenyl-4,5-dihydro-1,2-oxazole

5-(carbazol-9-ylmethyl)-3-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 4234325) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-(carbazol-9-ylmethyl)-3-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(carbazol-9-ylmethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID4234325
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name5-(carbazol-9-ylmethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESc1ccc(C2=NOC(Cn3c4ccccc4c4ccccc43)C2)cc1
InChIInChI=1S/C22H18N2O/c1-2-8-16(9-3-1)20-14-17(25-23-20)15-24-21-12-6-4-10-18(21)19-11-5-7-13-22(19)24/h1-13,17H,14-15H2
InChIKeyNPVVJFAKHILPMK-UHFFFAOYSA-N
XLogP4.99
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(carbazol-9-ylmethyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(carbazol-9-ylmethyl)-3-phenyl-4,5-dihydro-1,2-oxazole (CID 4234325) is 5-(carbazol-9-ylmethyl)-3-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(carbazol-9-ylmethyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(carbazol-9-ylmethyl)-3-phenyl-4,5-dihydro-1,2-oxazole is c1ccc(C2=NOC(Cn3c4ccccc4c4ccccc43)C2)cc1.
What is the InChIKey of 5-(carbazol-9-ylmethyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is NPVVJFAKHILPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-2-8-16(9-3-1)20-14-17(25-23-20)15-24-21-12-6-4-10-18(21)19-11-5-7-13-22(19)24/h1-13,17H,14-15H2.
What are the key properties of 5-(carbazol-9-ylmethyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
5-(carbazol-9-ylmethyl)-3-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 326.40 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbazol-9-ylmethyl)-3-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 4234325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).