2-(4-tert-butylphenyl)-4-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,3-oxazol-5-amine

C21H23FN2O3S — CID 18889884

IUPAC2-(4-tert-butylphenyl)-4-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,3-oxazol-5-amine
SMILESCN(C)c1oc(-c2ccc(C(C)(C)C)cc2)nc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H23FN2O3S/c1-21(2,3)15-8-6-14(7-9-15)18-23-19(20(27-18)24(4)5)28(25,26)17-12-10-16(22)11-13-17/h6-13H,1-5H3
InChIKeyLXVCMNXXQCOPQA-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.68
Rot. Bonds4

About 2-(4-tert-butylphenyl)-4-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,3-oxazol-5-amine

2-(4-tert-butylphenyl)-4-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,3-oxazol-5-amine (PubChem CID 18889884) has the molecular formula C21H23FN2O3S and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-4-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,3-oxazol-5-amine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-4-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,3-oxazol-5-amine
PubChem CID18889884
Molecular FormulaC21H23FN2O3S
Molecular Weight402.49 g/mol
Exact Mass402.14
IUPAC Name2-(4-tert-butylphenyl)-4-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,3-oxazol-5-amine
SMILESCN(C)c1oc(-c2ccc(C(C)(C)C)cc2)nc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H23FN2O3S/c1-21(2,3)15-8-6-14(7-9-15)18-23-19(20(27-18)24(4)5)28(25,26)17-12-10-16(22)11-13-17/h6-13H,1-5H3
InChIKeyLXVCMNXXQCOPQA-UHFFFAOYSA-N
XLogP4.68
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-4-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,3-oxazol-5-amine?
The IUPAC name of 2-(4-tert-butylphenyl)-4-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,3-oxazol-5-amine (CID 18889884) is 2-(4-tert-butylphenyl)-4-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,3-oxazol-5-amine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-4-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,3-oxazol-5-amine?
The canonical SMILES for 2-(4-tert-butylphenyl)-4-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,3-oxazol-5-amine is CN(C)c1oc(-c2ccc(C(C)(C)C)cc2)nc1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-4-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,3-oxazol-5-amine?
The InChIKey is LXVCMNXXQCOPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3S/c1-21(2,3)15-8-6-14(7-9-15)18-23-19(20(27-18)24(4)5)28(25,26)17-12-10-16(22)11-13-17/h6-13H,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-4-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,3-oxazol-5-amine?
2-(4-tert-butylphenyl)-4-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,3-oxazol-5-amine has a molecular weight of 402.49 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-4-(4-fluorophenyl)sulfonyl-N,N-dimethyl-1,3-oxazol-5-amine is sourced from PubChem (CID 18889884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).