N-butan-2-yl-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine

C20H21FN2O3S — CID 2964748

IUPACN-butan-2-yl-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
SMILESCCC(C)Nc1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O3S/c1-4-14(3)22-19-20(27(24,25)16-11-9-15(21)10-12-16)23-18(26-19)17-8-6-5-7-13(17)2/h5-12,14,22H,4H2,1-3H3
InChIKeyGYZSFCVSSVZCMW-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.83
Rot. Bonds6

About N-butan-2-yl-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine

N-butan-2-yl-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine (PubChem CID 2964748) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is N-butan-2-yl-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
PubChem CID2964748
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC NameN-butan-2-yl-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine
SMILESCCC(C)Nc1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H21FN2O3S/c1-4-14(3)22-19-20(27(24,25)16-11-9-15(21)10-12-16)23-18(26-19)17-8-6-5-7-13(17)2/h5-12,14,22H,4H2,1-3H3
InChIKeyGYZSFCVSSVZCMW-UHFFFAOYSA-N
XLogP4.83
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine?
The IUPAC name of N-butan-2-yl-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine (CID 2964748) is N-butan-2-yl-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine.
What is the SMILES notation for N-butan-2-yl-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine?
The canonical SMILES for N-butan-2-yl-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine is CCC(C)Nc1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-butan-2-yl-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine?
The InChIKey is GYZSFCVSSVZCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c1-4-14(3)22-19-20(27(24,25)16-11-9-15(21)10-12-16)23-18(26-19)17-8-6-5-7-13(17)2/h5-12,14,22H,4H2,1-3H3.
What are the key properties of N-butan-2-yl-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine?
N-butan-2-yl-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine has a molecular weight of 388.46 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)-1,3-oxazol-5-amine is sourced from PubChem (CID 2964748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).