N-butyl-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine

C19H18F2N2O3S — CID 18824708

IUPACN-butyl-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine
SMILESCCCCNc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H18F2N2O3S/c1-2-3-12-22-18-19(27(24,25)16-10-8-15(21)9-11-16)23-17(26-18)13-4-6-14(20)7-5-13/h4-11,22H,2-3,12H2,1H3
InChIKeyTVNGLEJFRUWIJY-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.66
Rot. Bonds7

About N-butyl-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine

N-butyl-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine (PubChem CID 18824708) has the molecular formula C19H18F2N2O3S and a molecular weight of 392.43 g/mol. Its IUPAC name is N-butyl-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-butyl-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine
PubChem CID18824708
Molecular FormulaC19H18F2N2O3S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC NameN-butyl-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine
SMILESCCCCNc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H18F2N2O3S/c1-2-3-12-22-18-19(27(24,25)16-10-8-15(21)9-11-16)23-17(26-18)13-4-6-14(20)7-5-13/h4-11,22H,2-3,12H2,1H3
InChIKeyTVNGLEJFRUWIJY-UHFFFAOYSA-N
XLogP4.66
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine?
The IUPAC name of N-butyl-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine (CID 18824708) is N-butyl-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine.
What is the SMILES notation for N-butyl-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine?
The canonical SMILES for N-butyl-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine is CCCCNc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-butyl-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine?
The InChIKey is TVNGLEJFRUWIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O3S/c1-2-3-12-22-18-19(27(24,25)16-10-8-15(21)9-11-16)23-17(26-18)13-4-6-14(20)7-5-13/h4-11,22H,2-3,12H2,1H3.
What are the key properties of N-butyl-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine?
N-butyl-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine has a molecular weight of 392.43 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-fluorophenyl)-4-(4-fluorophenyl)sulfonyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18824708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).