methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9-(1-phenylethyl)carbazole-4-carboxylate

C28H26N2O4 — CID 90375858

IUPACmethyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9-(1-phenylethyl)carbazole-4-carboxylate
SMILESCOC(=O)c1cc(-c2c(C)noc2C)cc2c1c1cc(OC)ccc1n2C(C)c1ccccc1
InChIInChI=1S/C28H26N2O4/c1-16-26(18(3)34-29-16)20-13-23(28(31)33-5)27-22-15-21(32-4)11-12-24(22)30(25(27)14-20)17(2)19-9-7-6-8-10-19/h6-15,17H,1-5H3
InChIKeyQGBXEZCWLDXUKI-UHFFFAOYSA-N
MW454.53 g/mol
LogP6.47
Rot. Bonds5

About methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9-(1-phenylethyl)carbazole-4-carboxylate

methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9-(1-phenylethyl)carbazole-4-carboxylate (PubChem CID 90375858) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9-(1-phenylethyl)carbazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9-(1-phenylethyl)carbazole-4-carboxylate
PubChem CID90375858
Molecular FormulaC28H26N2O4
Molecular Weight454.53 g/mol
Exact Mass454.19
IUPAC Namemethyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9-(1-phenylethyl)carbazole-4-carboxylate
SMILESCOC(=O)c1cc(-c2c(C)noc2C)cc2c1c1cc(OC)ccc1n2C(C)c1ccccc1
InChIInChI=1S/C28H26N2O4/c1-16-26(18(3)34-29-16)20-13-23(28(31)33-5)27-22-15-21(32-4)11-12-24(22)30(25(27)14-20)17(2)19-9-7-6-8-10-19/h6-15,17H,1-5H3
InChIKeyQGBXEZCWLDXUKI-UHFFFAOYSA-N
XLogP6.47
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9-(1-phenylethyl)carbazole-4-carboxylate?
The IUPAC name of methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9-(1-phenylethyl)carbazole-4-carboxylate (CID 90375858) is methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9-(1-phenylethyl)carbazole-4-carboxylate.
What is the SMILES notation for methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9-(1-phenylethyl)carbazole-4-carboxylate?
The canonical SMILES for methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9-(1-phenylethyl)carbazole-4-carboxylate is COC(=O)c1cc(-c2c(C)noc2C)cc2c1c1cc(OC)ccc1n2C(C)c1ccccc1.
What is the InChIKey of methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9-(1-phenylethyl)carbazole-4-carboxylate?
The InChIKey is QGBXEZCWLDXUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4/c1-16-26(18(3)34-29-16)20-13-23(28(31)33-5)27-22-15-21(32-4)11-12-24(22)30(25(27)14-20)17(2)19-9-7-6-8-10-19/h6-15,17H,1-5H3.
What are the key properties of methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9-(1-phenylethyl)carbazole-4-carboxylate?
methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9-(1-phenylethyl)carbazole-4-carboxylate has a molecular weight of 454.53 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9-(1-phenylethyl)carbazole-4-carboxylate is sourced from PubChem (CID 90375858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).