3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide

C23H22N4O4 — CID 66604569

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2[nH]c3cc(C(=O)N4CCOCC4)ccc3c2c1
InChIInChI=1S/C23H22N4O4/c1-12-20(13(2)31-26-12)15-9-17-16-4-3-14(23(29)27-5-7-30-8-6-27)11-19(16)25-21(17)18(10-15)22(24)28/h3-4,9-11,25H,5-8H2,1-2H3,(H2,24,28)
InChIKeyGESYCLLAYBBSPF-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.16
Rot. Bonds3

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide (PubChem CID 66604569) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
PubChem CID66604569
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2[nH]c3cc(C(=O)N4CCOCC4)ccc3c2c1
InChIInChI=1S/C23H22N4O4/c1-12-20(13(2)31-26-12)15-9-17-16-4-3-14(23(29)27-5-7-30-8-6-27)11-19(16)25-21(17)18(10-15)22(24)28/h3-4,9-11,25H,5-8H2,1-2H3,(H2,24,28)
InChIKeyGESYCLLAYBBSPF-UHFFFAOYSA-N
XLogP3.16
TPSA114.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide (CID 66604569) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide is Cc1noc(C)c1-c1cc(C(N)=O)c2[nH]c3cc(C(=O)N4CCOCC4)ccc3c2c1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The InChIKey is GESYCLLAYBBSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-12-20(13(2)31-26-12)15-9-17-16-4-3-14(23(29)27-5-7-30-8-6-27)11-19(16)25-21(17)18(10-15)22(24)28/h3-4,9-11,25H,5-8H2,1-2H3,(H2,24,28).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide has a molecular weight of 418.45 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 66604569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).