methyl 9-(5-methyl-1,2-oxazol-3-yl)carbazole-2-carboxylate

C18H14N2O3 — CID 24992775

IUPACmethyl 9-(5-methyl-1,2-oxazol-3-yl)carbazole-2-carboxylate
SMILESCOC(=O)c1ccc2c3ccccc3n(-c3cc(C)on3)c2c1
InChIInChI=1S/C18H14N2O3/c1-11-9-17(19-23-11)20-15-6-4-3-5-13(15)14-8-7-12(10-16(14)20)18(21)22-2/h3-10H,1-2H3
InChIKeyPBMAWUZIVLPHDA-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.87
Rot. Bonds2

About methyl 9-(5-methyl-1,2-oxazol-3-yl)carbazole-2-carboxylate

methyl 9-(5-methyl-1,2-oxazol-3-yl)carbazole-2-carboxylate (PubChem CID 24992775) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is methyl 9-(5-methyl-1,2-oxazol-3-yl)carbazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 9-(5-methyl-1,2-oxazol-3-yl)carbazole-2-carboxylate
PubChem CID24992775
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Namemethyl 9-(5-methyl-1,2-oxazol-3-yl)carbazole-2-carboxylate
SMILESCOC(=O)c1ccc2c3ccccc3n(-c3cc(C)on3)c2c1
InChIInChI=1S/C18H14N2O3/c1-11-9-17(19-23-11)20-15-6-4-3-5-13(15)14-8-7-12(10-16(14)20)18(21)22-2/h3-10H,1-2H3
InChIKeyPBMAWUZIVLPHDA-UHFFFAOYSA-N
XLogP3.87
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 9-(5-methyl-1,2-oxazol-3-yl)carbazole-2-carboxylate?
The IUPAC name of methyl 9-(5-methyl-1,2-oxazol-3-yl)carbazole-2-carboxylate (CID 24992775) is methyl 9-(5-methyl-1,2-oxazol-3-yl)carbazole-2-carboxylate.
What is the SMILES notation for methyl 9-(5-methyl-1,2-oxazol-3-yl)carbazole-2-carboxylate?
The canonical SMILES for methyl 9-(5-methyl-1,2-oxazol-3-yl)carbazole-2-carboxylate is COC(=O)c1ccc2c3ccccc3n(-c3cc(C)on3)c2c1.
What is the InChIKey of methyl 9-(5-methyl-1,2-oxazol-3-yl)carbazole-2-carboxylate?
The InChIKey is PBMAWUZIVLPHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-11-9-17(19-23-11)20-15-6-4-3-5-13(15)14-8-7-12(10-16(14)20)18(21)22-2/h3-10H,1-2H3.
What are the key properties of methyl 9-(5-methyl-1,2-oxazol-3-yl)carbazole-2-carboxylate?
methyl 9-(5-methyl-1,2-oxazol-3-yl)carbazole-2-carboxylate has a molecular weight of 306.32 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(5-methyl-1,2-oxazol-3-yl)carbazole-2-carboxylate is sourced from PubChem (CID 24992775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).