1,2-benzoxazole;1,3-thiazole

C10H8N2OS — CID 90009416

IUPAC1,2-benzoxazole;1,3-thiazole
SMILESc1ccc2oncc2c1.c1cscn1
InChIInChI=1S/C7H5NO.C3H3NS/c1-2-4-7-6(3-1)5-8-9-7;1-2-5-3-4-1/h1-5H;1-3H
InChIKeyDTVSMNPZZCMFNT-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.97
Rot. Bonds

About 1,2-benzoxazole;1,3-thiazole

1,2-benzoxazole;1,3-thiazole (PubChem CID 90009416) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is 1,2-benzoxazole;1,3-thiazole.

Molecular Properties

Compound Name1,2-benzoxazole;1,3-thiazole
PubChem CID90009416
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name1,2-benzoxazole;1,3-thiazole
SMILESc1ccc2oncc2c1.c1cscn1
InChIInChI=1S/C7H5NO.C3H3NS/c1-2-4-7-6(3-1)5-8-9-7;1-2-5-3-4-1/h1-5H;1-3H
InChIKeyDTVSMNPZZCMFNT-UHFFFAOYSA-N
XLogP2.97
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)methanesulfonamide
CID 72719852
6-Fluoro-3-[3-[3-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]pyrrolidin-1-yl]propyl]-1,2-benzoxazole
CID 140985232
6-Fluoro-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-1,2-benzoxazole
CID 168057118
1-(3-Phenyl-1,2-oxazol-5-yl)-2-(1,3-thiazol-3-ium-3-yl)ethanone bromide
CID 9968308
1-(3-Phenyl-1,2-oxazol-5-yl)-2-(1,3-thiazol-3-ium-3-yl)ethanone
CID 9968309
3-[2-(1-Benzylpiperidin-4-yl)ethyl]-6-(1,3-thiazol-2-yl)-1,2-benzoxazole
CID 10201197
5-methyl-3-phenyl-4-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-1,2-oxazole
CID 66643640
5-Methyl-3-phenyl-4-[2-(1,3-thiazol-2-yl)ethenyl]-1,2-oxazole
CID 66643641
7-(4-Methyl-3-pyridinyl)-3-(1,3-thiazol-2-yl)-1,2-benzoxazole
CID 89478928
7-Bromo-3-(1,3-thiazol-2-yl)-1,2-benzoxazole
CID 89480573
2-(1,2-benzoxazol-3-yl)-N-ethyl-N-methyl-1,3-thiazole-5-carboxamide
CID 97526312
1,3-Benzothiazole;1,2-benzoxazole
CID 122587912

Frequently Asked Questions

What is the IUPAC name of 1,2-benzoxazole;1,3-thiazole?
The IUPAC name of 1,2-benzoxazole;1,3-thiazole (CID 90009416) is 1,2-benzoxazole;1,3-thiazole.
What is the SMILES notation for 1,2-benzoxazole;1,3-thiazole?
The canonical SMILES for 1,2-benzoxazole;1,3-thiazole is c1ccc2oncc2c1.c1cscn1.
What is the InChIKey of 1,2-benzoxazole;1,3-thiazole?
The InChIKey is DTVSMNPZZCMFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO.C3H3NS/c1-2-4-7-6(3-1)5-8-9-7;1-2-5-3-4-1/h1-5H;1-3H.
What are the key properties of 1,2-benzoxazole;1,3-thiazole?
1,2-benzoxazole;1,3-thiazole has a molecular weight of 204.25 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-benzoxazole;1,3-thiazole is sourced from PubChem (CID 90009416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).