5-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-oxazole

C14H11FN2OS2 — CID 47009414

IUPAC5-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-oxazole
SMILESCc1csc(SCc2ncc(-c3ccc(F)cc3)o2)n1
InChIInChI=1S/C14H11FN2OS2/c1-9-7-19-14(17-9)20-8-13-16-6-12(18-13)10-2-4-11(15)5-3-10/h2-7H,8H2,1H3
InChIKeyCWUAJLWWPYWNII-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.54
Rot. Bonds4

About 5-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-oxazole

5-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-oxazole (PubChem CID 47009414) has the molecular formula C14H11FN2OS2 and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-oxazole
PubChem CID47009414
Molecular FormulaC14H11FN2OS2
Molecular Weight306.39 g/mol
Exact Mass306.03
IUPAC Name5-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-oxazole
SMILESCc1csc(SCc2ncc(-c3ccc(F)cc3)o2)n1
InChIInChI=1S/C14H11FN2OS2/c1-9-7-19-14(17-9)20-8-13-16-6-12(18-13)10-2-4-11(15)5-3-10/h2-7H,8H2,1H3
InChIKeyCWUAJLWWPYWNII-UHFFFAOYSA-N
XLogP4.54
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Fluorophenyl)-2-thiophen-2-yloxazole
CID 856373
7-Phenyl-1-[5-(1,3-thiazol-4-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 56673185
2-(3-Phenylpropyl)-5-thiophen-2-yl-1,3-oxazole
CID 169260026
2-(4-methyl-1,3-thiazol-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propan-2-amine
CID 71868998
N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 71869006
N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 71869008
N-(4,5-dimethylthiazol-2-yl)-5-(4-fluorophenyl)oxazole-2-carboxamide
CID 76145342
2-[(2-Phenyl-1,3-oxazol-5-yl)methylthio]benzothiazole
CID 683050
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41767585
2-(Difluoromethyl)-5-(4-methylsulfanylphenyl)-1,3-oxazole
CID 138985011
(5-phenyl-1,3-oxazol-2-yl)methyl N,N-diethylcarbamodithioate
CID 8894363
5-phenyl-N-((2-phenylthiazol-4-yl)methyl)oxazole-2-carboxamide
CID 76145312

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-oxazole (CID 47009414) is 5-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-oxazole is Cc1csc(SCc2ncc(-c3ccc(F)cc3)o2)n1.
What is the InChIKey of 5-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-oxazole?
The InChIKey is CWUAJLWWPYWNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS2/c1-9-7-19-14(17-9)20-8-13-16-6-12(18-13)10-2-4-11(15)5-3-10/h2-7H,8H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-oxazole?
5-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-oxazole has a molecular weight of 306.39 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-oxazole is sourced from PubChem (CID 47009414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).