6-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]oxazol-5-amine

C29H20N4O — CID 59691246

IUPAC6-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]oxazol-5-amine
SMILESc1ccc(N(c2ccccc2)c2c(-n3c4ccccc4c4ccccc43)nc3occn23)cc1
InChIInChI=1S/C29H20N4O/c1-3-11-21(12-4-1)32(22-13-5-2-6-14-22)28-27(30-29-31(28)19-20-34-29)33-25-17-9-7-15-23(25)24-16-8-10-18-26(24)33/h1-20H
InChIKeyHSXBPFKXTPNVGD-UHFFFAOYSA-N
MW440.51 g/mol
LogP7.49
Rot. Bonds4

About 6-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]oxazol-5-amine

6-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]oxazol-5-amine (PubChem CID 59691246) has the molecular formula C29H20N4O and a molecular weight of 440.51 g/mol. Its IUPAC name is 6-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]oxazol-5-amine.

Molecular Properties

Compound Name6-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]oxazol-5-amine
PubChem CID59691246
Molecular FormulaC29H20N4O
Molecular Weight440.51 g/mol
Exact Mass440.16
IUPAC Name6-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]oxazol-5-amine
SMILESc1ccc(N(c2ccccc2)c2c(-n3c4ccccc4c4ccccc43)nc3occn23)cc1
InChIInChI=1S/C29H20N4O/c1-3-11-21(12-4-1)32(22-13-5-2-6-14-22)28-27(30-29-31(28)19-20-34-29)33-25-17-9-7-15-23(25)24-16-8-10-18-26(24)33/h1-20H
InChIKeyHSXBPFKXTPNVGD-UHFFFAOYSA-N
XLogP7.49
TPSA38.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]oxazol-5-amine?
The IUPAC name of 6-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]oxazol-5-amine (CID 59691246) is 6-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]oxazol-5-amine.
What is the SMILES notation for 6-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]oxazol-5-amine?
The canonical SMILES for 6-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]oxazol-5-amine is c1ccc(N(c2ccccc2)c2c(-n3c4ccccc4c4ccccc43)nc3occn23)cc1.
What is the InChIKey of 6-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]oxazol-5-amine?
The InChIKey is HSXBPFKXTPNVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N4O/c1-3-11-21(12-4-1)32(22-13-5-2-6-14-22)28-27(30-29-31(28)19-20-34-29)33-25-17-9-7-15-23(25)24-16-8-10-18-26(24)33/h1-20H.
What are the key properties of 6-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]oxazol-5-amine?
6-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]oxazol-5-amine has a molecular weight of 440.51 g/mol, XLogP of 7.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-N,N-diphenylimidazo[2,1-b][1,3]oxazol-5-amine is sourced from PubChem (CID 59691246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).