7-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide

C25H26N4O4 — CID 90376698

IUPAC7-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2[nH]c3cc(C(=O)N4CC(C)OC(C)C4)ccc3c2c1
InChIInChI=1S/C25H26N4O4/c1-12-10-29(11-13(2)32-12)25(31)16-5-6-18-19-7-17(22-14(3)28-33-15(22)4)8-20(24(26)30)23(19)27-21(18)9-16/h5-9,12-13,27H,10-11H2,1-4H3,(H2,26,30)
InChIKeyGUHKKHGRWNFPHB-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.94
Rot. Bonds3

About 7-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide

7-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide (PubChem CID 90376698) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 7-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name7-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide
PubChem CID90376698
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name7-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2[nH]c3cc(C(=O)N4CC(C)OC(C)C4)ccc3c2c1
InChIInChI=1S/C25H26N4O4/c1-12-10-29(11-13(2)32-12)25(31)16-5-6-18-19-7-17(22-14(3)28-33-15(22)4)8-20(24(26)30)23(19)27-21(18)9-16/h5-9,12-13,27H,10-11H2,1-4H3,(H2,26,30)
InChIKeyGUHKKHGRWNFPHB-UHFFFAOYSA-N
XLogP3.94
TPSA114.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazol-3-yl]methanone
CID 90376112
3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carbothioamide
CID 90375232
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazol-3-yl]methanone
CID 90375907
9-[(2-cyanophenyl)methyl]-6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-4-carboxamide
CID 78427747
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(piperidine-1-carbonyl)-9H-carbazol-1-yl]formamide
CID 174906730
[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazol-2-yl]-morpholin-4-ylmethanone
CID 90375239
3-bromo-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-9H-fluorene-1-carboxamide;9-cyclopropylsulfonyl-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)carbazole-1-carboxamide
CID 160804146
1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-2-carbonyl]piperidine-4-carbonitrile
CID 141418557
3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoropiperidine-1-carbonyl)-9-methylsulfonylcarbazole-1-carboxamide
CID 118644502
9-cyclopropylsulfonyl-5-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(trifluoromethyl)carbazole-1-carboxamide
CID 90375378
5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-9H-fluorene-1-carboxylic acid
CID 153254090
2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-fluoroazetidine-1-carbonyl)-N-methyl-9H-carbazole-4-carboxamide
CID 90375974

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide?
The IUPAC name of 7-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide (CID 90376698) is 7-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 7-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 7-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide is Cc1noc(C)c1-c1cc(C(N)=O)c2[nH]c3cc(C(=O)N4CC(C)OC(C)C4)ccc3c2c1.
What is the InChIKey of 7-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide?
The InChIKey is GUHKKHGRWNFPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-12-10-29(11-13(2)32-12)25(31)16-5-6-18-19-7-17(22-14(3)28-33-15(22)4)8-20(24(26)30)23(19)27-21(18)9-16/h5-9,12-13,27H,10-11H2,1-4H3,(H2,26,30).
What are the key properties of 7-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide?
7-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 90376698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).