3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoropiperidine-1-carbonyl)-9-methylsulfonylcarbazole-1-carboxamide

C25H25FN4O5S — CID 118644502

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoropiperidine-1-carbonyl)-9-methylsulfonylcarbazole-1-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(C(=O)N3CCC(F)CC3)cc1n2S(C)(=O)=O
InChIInChI=1S/C25H25FN4O5S/c1-13-22(14(2)35-28-13)16-10-19-18-5-4-15(25(32)29-8-6-17(26)7-9-29)12-21(18)30(36(3,33)34)23(19)20(11-16)24(27)31/h4-5,10-12,17H,6-9H2,1-3H3,(H2,27,31)
InChIKeyXPJDBTZTEMMXSS-UHFFFAOYSA-N
MW512.56 g/mol
LogP3.55
Rot. Bonds4

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoropiperidine-1-carbonyl)-9-methylsulfonylcarbazole-1-carboxamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoropiperidine-1-carbonyl)-9-methylsulfonylcarbazole-1-carboxamide (PubChem CID 118644502) has the molecular formula C25H25FN4O5S and a molecular weight of 512.56 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoropiperidine-1-carbonyl)-9-methylsulfonylcarbazole-1-carboxamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoropiperidine-1-carbonyl)-9-methylsulfonylcarbazole-1-carboxamide
PubChem CID118644502
Molecular FormulaC25H25FN4O5S
Molecular Weight512.56 g/mol
Exact Mass512.15
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoropiperidine-1-carbonyl)-9-methylsulfonylcarbazole-1-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(C(=O)N3CCC(F)CC3)cc1n2S(C)(=O)=O
InChIInChI=1S/C25H25FN4O5S/c1-13-22(14(2)35-28-13)16-10-19-18-5-4-15(25(32)29-8-6-17(26)7-9-29)12-21(18)30(36(3,33)34)23(19)20(11-16)24(27)31/h4-5,10-12,17H,6-9H2,1-3H3,(H2,27,31)
InChIKeyXPJDBTZTEMMXSS-UHFFFAOYSA-N
XLogP3.55
TPSA128.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.56
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methylsulfonylcarbazole-1-carboxamide
CID 90375163
7-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide
CID 90376698
9-[(2,6-difluorophenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-fluoropyrrolidine-1-carbonyl)carbazole-4-carboxamide
CID 90375703
3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carbothioamide
CID 90375232
9-cyclopropylsulfonyl-5-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(trifluoromethyl)carbazole-1-carboxamide
CID 90375378
3-bromo-6-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-fluorene-1-carboxylic acid;9-cyclopropylsulfonyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(morpholine-4-carbonyl)carbazole-1-carboxamide
CID 158756117
[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazol-2-yl]-morpholin-4-ylmethanone
CID 90375239
9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-morpholin-4-ylpropan-2-yl)carbazole-1-carboxamide
CID 90383665
1-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-2-carbonyl]piperidine-4-carbonitrile
CID 141418557
6-bromo-8-carbamoyl-9-(cyclopropylmethyl)carbazole-2-carboxylic acid;tert-butyl 2-[8-carbamoyl-9-(cyclopropylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)carbazol-2-yl]acetate
CID 159642357
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

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoropiperidine-1-carbonyl)-9-methylsulfonylcarbazole-1-carboxamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoropiperidine-1-carbonyl)-9-methylsulfonylcarbazole-1-carboxamide (CID 118644502) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoropiperidine-1-carbonyl)-9-methylsulfonylcarbazole-1-carboxamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoropiperidine-1-carbonyl)-9-methylsulfonylcarbazole-1-carboxamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoropiperidine-1-carbonyl)-9-methylsulfonylcarbazole-1-carboxamide is Cc1noc(C)c1-c1cc(C(N)=O)c2c(c1)c1ccc(C(=O)N3CCC(F)CC3)cc1n2S(C)(=O)=O.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoropiperidine-1-carbonyl)-9-methylsulfonylcarbazole-1-carboxamide?
The InChIKey is XPJDBTZTEMMXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O5S/c1-13-22(14(2)35-28-13)16-10-19-18-5-4-15(25(32)29-8-6-17(26)7-9-29)12-21(18)30(36(3,33)34)23(19)20(11-16)24(27)31/h4-5,10-12,17H,6-9H2,1-3H3,(H2,27,31).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoropiperidine-1-carbonyl)-9-methylsulfonylcarbazole-1-carboxamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoropiperidine-1-carbonyl)-9-methylsulfonylcarbazole-1-carboxamide has a molecular weight of 512.56 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoropiperidine-1-carbonyl)-9-methylsulfonylcarbazole-1-carboxamide is sourced from PubChem (CID 118644502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).