5-chloro-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3-benzoxazole

C15H10ClN5OS — CID 51208985

IUPAC5-chloro-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3-benzoxazole
SMILESClc1ccc2oc(SCc3nnnn3-c3ccccc3)nc2c1
InChIInChI=1S/C15H10ClN5OS/c16-10-6-7-13-12(8-10)17-15(22-13)23-9-14-18-19-20-21(14)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyZBFVDKNMHQCHDX-UHFFFAOYSA-N
MW343.80 g/mol
LogP3.75
Rot. Bonds4

About 5-chloro-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3-benzoxazole

5-chloro-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3-benzoxazole (PubChem CID 51208985) has the molecular formula C15H10ClN5OS and a molecular weight of 343.80 g/mol. Its IUPAC name is 5-chloro-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3-benzoxazole
PubChem CID51208985
Molecular FormulaC15H10ClN5OS
Molecular Weight343.80 g/mol
Exact Mass343.03
IUPAC Name5-chloro-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3-benzoxazole
SMILESClc1ccc2oc(SCc3nnnn3-c3ccccc3)nc2c1
InChIInChI=1S/C15H10ClN5OS/c16-10-6-7-13-12(8-10)17-15(22-13)23-9-14-18-19-20-21(14)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyZBFVDKNMHQCHDX-UHFFFAOYSA-N
XLogP3.75
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.80
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-2-[(3-phenoxyphenyl)methylsulfanyl]-1,3-benzoxazole
CID 2442900
5-[(3-chlorophenyl)methylsulfanylmethyl]-1-phenyltetrazole
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5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole
CID 18131089
5-chloro-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-benzoxazole
CID 2408981
5-chloro-2-phenylsulfanyl-1,3-benzoxazole
CID 102425567
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 2388695
5-chloro-2-(2-methylprop-2-enylsulfanyl)-1,3-benzoxazole
CID 47105865
2-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-chloroaniline
CID 79583234
2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-5-chloro-1,3-benzoxazole
CID 2493472
3-chloro-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]aniline
CID 43304469
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-(2-fluorophenyl)ethanone
CID 23768615
3-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenol
CID 104590232

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3-benzoxazole?
The IUPAC name of 5-chloro-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3-benzoxazole (CID 51208985) is 5-chloro-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3-benzoxazole?
The canonical SMILES for 5-chloro-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3-benzoxazole is Clc1ccc2oc(SCc3nnnn3-c3ccccc3)nc2c1.
What is the InChIKey of 5-chloro-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3-benzoxazole?
The InChIKey is ZBFVDKNMHQCHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5OS/c16-10-6-7-13-12(8-10)17-15(22-13)23-9-14-18-19-20-21(14)11-4-2-1-3-5-11/h1-8H,9H2.
What are the key properties of 5-chloro-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3-benzoxazole?
5-chloro-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3-benzoxazole has a molecular weight of 343.80 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,3-benzoxazole is sourced from PubChem (CID 51208985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).