5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-9H-fluorene-1-carboxylic acid

C27H28N2O5 — CID 153254090

IUPAC5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-9H-fluorene-1-carboxylic acid
SMILESCc1cc2c(c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c1)-c1cc(-c3c(C)noc3C)cc(C(=O)O)c1C2
InChIInChI=1S/C27H28N2O5/c1-13-6-18-8-20-21(9-19(10-22(20)27(31)32)24-16(4)28-34-17(24)5)25(18)23(7-13)26(30)29-11-14(2)33-15(3)12-29/h6-7,9-10,14-15H,8,11-12H2,1-5H3,(H,31,32)/t14-,15+
InChIKeyWTXMZRJBOCFYAR-GASCZTMLSA-N
MW460.53 g/mol
LogP4.79
Rot. Bonds3

About 5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-9H-fluorene-1-carboxylic acid

5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-9H-fluorene-1-carboxylic acid (PubChem CID 153254090) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is 5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-9H-fluorene-1-carboxylic acid.

Molecular Properties

Compound Name5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-9H-fluorene-1-carboxylic acid
PubChem CID153254090
Molecular FormulaC27H28N2O5
Molecular Weight460.53 g/mol
Exact Mass460.20
IUPAC Name5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-9H-fluorene-1-carboxylic acid
SMILESCc1cc2c(c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c1)-c1cc(-c3c(C)noc3C)cc(C(=O)O)c1C2
InChIInChI=1S/C27H28N2O5/c1-13-6-18-8-20-21(9-19(10-22(20)27(31)32)24-16(4)28-34-17(24)5)25(18)23(7-13)26(30)29-11-14(2)33-15(3)12-29/h6-7,9-10,14-15H,8,11-12H2,1-5H3,(H,31,32)/t14-,15+
InChIKeyWTXMZRJBOCFYAR-GASCZTMLSA-N
XLogP4.79
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-9H-fluorene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylsulfonyl-9H-fluorene-1-carboxylic acid
CID 157327775
7-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide
CID 90376698
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazol-3-yl]methanone
CID 90376112
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-cyclopropylsulfonyl-5-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(trifluoromethyl)carbazole-1-carboxamide
CID 90375378
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 700898
[(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
3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(methylamino)benzoic acid
CID 141423687
(2,6-dimethylmorpholin-4-yl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 47150631
(2-bromo-5-methylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 103932969
2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
CID 53225038

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-9H-fluorene-1-carboxylic acid?
The IUPAC name of 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) is 5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-9H-fluorene-1-carboxylic acid.
What is the SMILES notation for 5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-9H-fluorene-1-carboxylic acid?
The canonical SMILES for 5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-9H-fluorene-1-carboxylic acid is Cc1cc2c(c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)c1)-c1cc(-c3c(C)noc3C)cc(C(=O)O)c1C2.
What is the InChIKey of 5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-9H-fluorene-1-carboxylic acid?
The InChIKey is WTXMZRJBOCFYAR-GASCZTMLSA-N. The full InChI is InChI=1S/C27H28N2O5/c1-13-6-18-8-20-21(9-19(10-22(20)27(31)32)24-16(4)28-34-17(24)5)25(18)23(7-13)26(30)29-11-14(2)33-15(3)12-29/h6-7,9-10,14-15H,8,11-12H2,1-5H3,(H,31,32)/t14-,15+.
What are the key properties of 5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-9H-fluorene-1-carboxylic acid?
5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-9H-fluorene-1-carboxylic acid has a molecular weight of 460.53 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-9H-fluorene-1-carboxylic acid is sourced from PubChem (CID 153254090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).