8-carbamoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-9H-carbazole-2-carboxylic acid

C19H14FN3O4 — CID 90375099

IUPAC8-carbamoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-9H-carbazole-2-carboxylic acid
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2[nH]c3cc(C(=O)O)ccc3c2c1F
InChIInChI=1S/C19H14FN3O4/c1-7-14(8(2)27-23-7)11-6-12(18(21)24)17-15(16(11)20)10-4-3-9(19(25)26)5-13(10)22-17/h3-6,22H,1-2H3,(H2,21,24)(H,25,26)
InChIKeyCPTXFVOWJDGCLQ-UHFFFAOYSA-N
MW367.34 g/mol
LogP3.53
Rot. Bonds3

About 8-carbamoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-9H-carbazole-2-carboxylic acid

8-carbamoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-9H-carbazole-2-carboxylic acid (PubChem CID 90375099) has the molecular formula C19H14FN3O4 and a molecular weight of 367.34 g/mol. Its IUPAC name is 8-carbamoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-9H-carbazole-2-carboxylic acid.

Molecular Properties

Compound Name8-carbamoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-9H-carbazole-2-carboxylic acid
PubChem CID90375099
Molecular FormulaC19H14FN3O4
Molecular Weight367.34 g/mol
Exact Mass367.10
IUPAC Name8-carbamoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-9H-carbazole-2-carboxylic acid
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2[nH]c3cc(C(=O)O)ccc3c2c1F
InChIInChI=1S/C19H14FN3O4/c1-7-14(8(2)27-23-7)11-6-12(18(21)24)17-15(16(11)20)10-4-3-9(19(25)26)5-13(10)22-17/h3-6,22H,1-2H3,(H2,21,24)(H,25,26)
InChIKeyCPTXFVOWJDGCLQ-UHFFFAOYSA-N
XLogP3.53
TPSA122.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-carbamoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-9H-carbazole-2-carboxylic acid?
The IUPAC name of 8-carbamoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-9H-carbazole-2-carboxylic acid (CID 90375099) is 8-carbamoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-9H-carbazole-2-carboxylic acid.
What is the SMILES notation for 8-carbamoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-9H-carbazole-2-carboxylic acid?
The canonical SMILES for 8-carbamoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-9H-carbazole-2-carboxylic acid is Cc1noc(C)c1-c1cc(C(N)=O)c2[nH]c3cc(C(=O)O)ccc3c2c1F.
What is the InChIKey of 8-carbamoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-9H-carbazole-2-carboxylic acid?
The InChIKey is CPTXFVOWJDGCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O4/c1-7-14(8(2)27-23-7)11-6-12(18(21)24)17-15(16(11)20)10-4-3-9(19(25)26)5-13(10)22-17/h3-6,22H,1-2H3,(H2,21,24)(H,25,26).
What are the key properties of 8-carbamoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-9H-carbazole-2-carboxylic acid?
8-carbamoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-9H-carbazole-2-carboxylic acid has a molecular weight of 367.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-carbamoyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-9H-carbazole-2-carboxylic acid is sourced from PubChem (CID 90375099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).