9-[(3-fluorophenyl)methyl]-6-(5-methyl-1,2-oxazol-3-yl)-1,2,3,4-tetrahydrocarbazole-1-carboxamide

C24H22FN3O2 — CID 173090711

IUPAC9-[(3-fluorophenyl)methyl]-6-(5-methyl-1,2-oxazol-3-yl)-1,2,3,4-tetrahydrocarbazole-1-carboxamide
SMILESCc1cc(-c2ccc3c(c2)c2c(n3Cc3cccc(F)c3)C(C(N)=O)CCC2)no1
InChIInChI=1S/C24H22FN3O2/c1-14-10-21(27-30-14)16-8-9-22-20(12-16)18-6-3-7-19(24(26)29)23(18)28(22)13-15-4-2-5-17(25)11-15/h2,4-5,8-12,19H,3,6-7,13H2,1H3,(H2,26,29)
InChIKeyZNVQZAXXKJGWMD-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.70
Rot. Bonds4

About 9-[(3-fluorophenyl)methyl]-6-(5-methyl-1,2-oxazol-3-yl)-1,2,3,4-tetrahydrocarbazole-1-carboxamide

9-[(3-fluorophenyl)methyl]-6-(5-methyl-1,2-oxazol-3-yl)-1,2,3,4-tetrahydrocarbazole-1-carboxamide (PubChem CID 173090711) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is 9-[(3-fluorophenyl)methyl]-6-(5-methyl-1,2-oxazol-3-yl)-1,2,3,4-tetrahydrocarbazole-1-carboxamide.

Molecular Properties

Compound Name9-[(3-fluorophenyl)methyl]-6-(5-methyl-1,2-oxazol-3-yl)-1,2,3,4-tetrahydrocarbazole-1-carboxamide
PubChem CID173090711
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name9-[(3-fluorophenyl)methyl]-6-(5-methyl-1,2-oxazol-3-yl)-1,2,3,4-tetrahydrocarbazole-1-carboxamide
SMILESCc1cc(-c2ccc3c(c2)c2c(n3Cc3cccc(F)c3)C(C(N)=O)CCC2)no1
InChIInChI=1S/C24H22FN3O2/c1-14-10-21(27-30-14)16-8-9-22-20(12-16)18-6-3-7-19(24(26)29)23(18)28(22)13-15-4-2-5-17(25)11-15/h2,4-5,8-12,19H,3,6-7,13H2,1H3,(H2,26,29)
InChIKeyZNVQZAXXKJGWMD-UHFFFAOYSA-N
XLogP4.70
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(3-fluorophenyl)methyl]-6-(hydroxyiminomethyl)-1,2,3,4-tetrahydrocarbazole-1-carboxamide
CID 173090714
N-[9-[(3-fluorophenyl)methyl]-6-(4-methyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydrocarbazol-3-yl]-2-methylpropanamide
CID 67196850
9-[(4-fluorophenyl)methyl]-8-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 84612231
methyl 2-[9-[(4-chlorophenyl)methyl]-6-fluoro-1,2,3,4-tetrahydrocarbazol-1-yl]propanoate
CID 23043096
1-[9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-4-yl]-4-phenylbutan-1-one
CID 165018573
2-[(1R)-9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 11674685
N-[2-(3-fluorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47009713
2-[[1-carbamoyl-4-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid
CID 10271234
2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-fluoroazetidine-1-carbonyl)-9-[(3-fluorophenyl)methyl]-N-methylcarbazole-4-carboxamide
CID 90376286
(3S)-N-(2,3-dimethylphenyl)-9-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 154688230
4-bromo-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 160918189
1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide
CID 24953069

Frequently Asked Questions

What is the IUPAC name of 9-[(3-fluorophenyl)methyl]-6-(5-methyl-1,2-oxazol-3-yl)-1,2,3,4-tetrahydrocarbazole-1-carboxamide?
The IUPAC name of 9-[(3-fluorophenyl)methyl]-6-(5-methyl-1,2-oxazol-3-yl)-1,2,3,4-tetrahydrocarbazole-1-carboxamide (CID 173090711) is 9-[(3-fluorophenyl)methyl]-6-(5-methyl-1,2-oxazol-3-yl)-1,2,3,4-tetrahydrocarbazole-1-carboxamide.
What is the SMILES notation for 9-[(3-fluorophenyl)methyl]-6-(5-methyl-1,2-oxazol-3-yl)-1,2,3,4-tetrahydrocarbazole-1-carboxamide?
The canonical SMILES for 9-[(3-fluorophenyl)methyl]-6-(5-methyl-1,2-oxazol-3-yl)-1,2,3,4-tetrahydrocarbazole-1-carboxamide is Cc1cc(-c2ccc3c(c2)c2c(n3Cc3cccc(F)c3)C(C(N)=O)CCC2)no1.
What is the InChIKey of 9-[(3-fluorophenyl)methyl]-6-(5-methyl-1,2-oxazol-3-yl)-1,2,3,4-tetrahydrocarbazole-1-carboxamide?
The InChIKey is ZNVQZAXXKJGWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c1-14-10-21(27-30-14)16-8-9-22-20(12-16)18-6-3-7-19(24(26)29)23(18)28(22)13-15-4-2-5-17(25)11-15/h2,4-5,8-12,19H,3,6-7,13H2,1H3,(H2,26,29).
What are the key properties of 9-[(3-fluorophenyl)methyl]-6-(5-methyl-1,2-oxazol-3-yl)-1,2,3,4-tetrahydrocarbazole-1-carboxamide?
9-[(3-fluorophenyl)methyl]-6-(5-methyl-1,2-oxazol-3-yl)-1,2,3,4-tetrahydrocarbazole-1-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-fluorophenyl)methyl]-6-(5-methyl-1,2-oxazol-3-yl)-1,2,3,4-tetrahydrocarbazole-1-carboxamide is sourced from PubChem (CID 173090711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).