2-(1,3-benzothiazol-2-yl)-4-phenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole

C19H15N5OS — CID 155672458

IUPAC2-(1,3-benzothiazol-2-yl)-4-phenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole
SMILESc1ccc(C2(Cn3cncn3)COC(c3nc4ccccc4s3)=N2)cc1
InChIInChI=1S/C19H15N5OS/c1-2-6-14(7-3-1)19(10-24-13-20-12-21-24)11-25-17(23-19)18-22-15-8-4-5-9-16(15)26-18/h1-9,12-13H,10-11H2
InChIKeySXJJYMGTZVTKBX-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.26
Rot. Bonds4

About 2-(1,3-benzothiazol-2-yl)-4-phenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole

2-(1,3-benzothiazol-2-yl)-4-phenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole (PubChem CID 155672458) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-4-phenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-4-phenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole
PubChem CID155672458
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC Name2-(1,3-benzothiazol-2-yl)-4-phenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole
SMILESc1ccc(C2(Cn3cncn3)COC(c3nc4ccccc4s3)=N2)cc1
InChIInChI=1S/C19H15N5OS/c1-2-6-14(7-3-1)19(10-24-13-20-12-21-24)11-25-17(23-19)18-22-15-8-4-5-9-16(15)26-18/h1-9,12-13H,10-11H2
InChIKeySXJJYMGTZVTKBX-UHFFFAOYSA-N
XLogP3.26
TPSA65.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-chloro-1-benzothiophen-2-yl)-4-(4-fluorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole
CID 155672439
4-(3-chlorophenyl)-2-[4-(2-fluorophenyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole
CID 164626294
2-methyl-3,5-diphenyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine
CID 14199988
(2R)-4-(1,3-benzothiazol-2-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95978871
4-(2,4-difluorophenyl)-2-[4-(3-fluorophenyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole
CID 155672468
2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 854969
(2R)-1-(1,3-benzothiazol-2-yl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 10573484
1,3-benzothiazol-2-yl-[3-(1,2,4-triazol-1-ylmethyl)azetidin-1-yl]methanone
CID 131702861
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
3-(1,3-benzothiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide
CID 122560454
N-(1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46508382
4-(1,3-benzothiazol-2-yl)oxadiazole
CID 68714459

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-4-phenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-4-phenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole (CID 155672458) is 2-(1,3-benzothiazol-2-yl)-4-phenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-4-phenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-4-phenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole is c1ccc(C2(Cn3cncn3)COC(c3nc4ccccc4s3)=N2)cc1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-4-phenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole?
The InChIKey is SXJJYMGTZVTKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS/c1-2-6-14(7-3-1)19(10-24-13-20-12-21-24)11-25-17(23-19)18-22-15-8-4-5-9-16(15)26-18/h1-9,12-13H,10-11H2.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-4-phenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole?
2-(1,3-benzothiazol-2-yl)-4-phenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole has a molecular weight of 361.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-4-phenyl-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole is sourced from PubChem (CID 155672458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).