3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylsulfonyl-9H-fluorene-1-carboxylic acid

C20H17NO5S — CID 157327775

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylsulfonyl-9H-fluorene-1-carboxylic acid
SMILESCc1noc(C)c1-c1cc(C(=O)O)c2c(c1)-c1cc(S(C)(=O)=O)ccc1C2
InChIInChI=1S/C20H17NO5S/c1-10-19(11(2)26-21-10)13-7-16-15-9-14(27(3,24)25)5-4-12(15)6-17(16)18(8-13)20(22)23/h4-5,7-9H,6H2,1-3H3,(H,22,23)
InChIKeyBEXWCZRFWDTUBZ-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.63
Rot. Bonds3

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylsulfonyl-9H-fluorene-1-carboxylic acid

3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylsulfonyl-9H-fluorene-1-carboxylic acid (PubChem CID 157327775) has the molecular formula C20H17NO5S and a molecular weight of 383.43 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylsulfonyl-9H-fluorene-1-carboxylic acid.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylsulfonyl-9H-fluorene-1-carboxylic acid
PubChem CID157327775
Molecular FormulaC20H17NO5S
Molecular Weight383.43 g/mol
Exact Mass383.08
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylsulfonyl-9H-fluorene-1-carboxylic acid
SMILESCc1noc(C)c1-c1cc(C(=O)O)c2c(c1)-c1cc(S(C)(=O)=O)ccc1C2
InChIInChI=1S/C20H17NO5S/c1-10-19(11(2)26-21-10)13-7-16-15-9-14(27(3,24)25)5-4-12(15)6-17(16)18(8-13)20(22)23/h4-5,7-9H,6H2,1-3H3,(H,22,23)
InChIKeyBEXWCZRFWDTUBZ-UHFFFAOYSA-N
XLogP3.63
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylsulfonyl-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)-5-(4-methylsulfonylanilino)benzoic acid
CID 90375881
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
methyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methylsulfonylanilino)benzoate
CID 90375101
2-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
CID 53225038
methyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4-methylsulfonylphenyl)methyl]benzoate
CID 157389032
9-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methylsulfonylcarbazole-1-carboxamide
CID 90375163
3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(methylamino)benzoic acid
CID 141423687
2-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
CID 15354514
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-2-methylbenzoic acid
CID 81435987
3,5-dimethyl-4-(4-piperazin-1-ylsulfonylphenyl)-1,2-oxazole
CID 167890240
3-methylsulfonyl-9H-fluorene
CID 59984556
2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoic acid
CID 138393314

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylsulfonyl-9H-fluorene-1-carboxylic acid?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylsulfonyl-9H-fluorene-1-carboxylic acid (CID 157327775) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylsulfonyl-9H-fluorene-1-carboxylic acid.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylsulfonyl-9H-fluorene-1-carboxylic acid?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylsulfonyl-9H-fluorene-1-carboxylic acid is Cc1noc(C)c1-c1cc(C(=O)O)c2c(c1)-c1cc(S(C)(=O)=O)ccc1C2.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylsulfonyl-9H-fluorene-1-carboxylic acid?
The InChIKey is BEXWCZRFWDTUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5S/c1-10-19(11(2)26-21-10)13-7-16-15-9-14(27(3,24)25)5-4-12(15)6-17(16)18(8-13)20(22)23/h4-5,7-9H,6H2,1-3H3,(H,22,23).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylsulfonyl-9H-fluorene-1-carboxylic acid?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylsulfonyl-9H-fluorene-1-carboxylic acid has a molecular weight of 383.43 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 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)-6-methylsulfonyl-9H-fluorene-1-carboxylic acid is sourced from PubChem (CID 157327775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).