5-(2-chlorophenyl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanylmethyl]-1,3-oxazole

C15H14ClN5OS — CID 71926181

IUPAC5-(2-chlorophenyl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanylmethyl]-1,3-oxazole
SMILESClc1ccccc1-c1cnc(CSCc2nnnn2C2CC2)o1
InChIInChI=1S/C15H14ClN5OS/c16-12-4-2-1-3-11(12)13-7-17-15(22-13)9-23-8-14-18-19-20-21(14)10-5-6-10/h1-4,7,10H,5-6,8-9H2
InChIKeyNWLYAVMMQSASGK-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.75
Rot. Bonds6

About 5-(2-chlorophenyl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanylmethyl]-1,3-oxazole

5-(2-chlorophenyl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanylmethyl]-1,3-oxazole (PubChem CID 71926181) has the molecular formula C15H14ClN5OS and a molecular weight of 347.83 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanylmethyl]-1,3-oxazole
PubChem CID71926181
Molecular FormulaC15H14ClN5OS
Molecular Weight347.83 g/mol
Exact Mass347.06
IUPAC Name5-(2-chlorophenyl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanylmethyl]-1,3-oxazole
SMILESClc1ccccc1-c1cnc(CSCc2nnnn2C2CC2)o1
InChIInChI=1S/C15H14ClN5OS/c16-12-4-2-1-3-11(12)13-7-17-15(22-13)9-23-8-14-18-19-20-21(14)10-5-6-10/h1-4,7,10H,5-6,8-9H2
InChIKeyNWLYAVMMQSASGK-UHFFFAOYSA-N
XLogP3.75
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
CID 31404712
5-(3-chlorophenyl)-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole
CID 37285698
N-[3-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propyl]acetamide
CID 71926173
4-[(1-cyclopropyltetrazol-5-yl)methylsulfanylmethyl]-2-methylquinoline
CID 71993084
1-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine;hydrochloride
CID 3049278
5-(2-chlorophenyl)-2-[(4-ethylsulfonylpiperidin-1-yl)methyl]-1,3-oxazole
CID 126791858
5-(2-chlorophenyl)-2-[[4-[(4-chlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole
CID 110170884
5-(2-chlorophenyl)-2-[[4-[(4-chlorophenyl)methyl]piperidin-1-yl]methyl]-1,3-oxazole;hydrochloride
CID 110170883
2-(azidomethyl)-5-(2-chlorophenyl)-1,3-oxazole
CID 121205153
5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]pyridin-2-amine
CID 43301839
2-bromo-5-(2-chlorophenyl)-1,3-oxazole
CID 117259589
3-[[5-(2-chlorophenyl)-1,3-oxazol-2-yl]methyl-(cyclopropylmethyl)amino]propanenitrile
CID 71866245

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanylmethyl]-1,3-oxazole?
The IUPAC name of 5-(2-chlorophenyl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanylmethyl]-1,3-oxazole (CID 71926181) is 5-(2-chlorophenyl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanylmethyl]-1,3-oxazole.
What is the SMILES notation for 5-(2-chlorophenyl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanylmethyl]-1,3-oxazole?
The canonical SMILES for 5-(2-chlorophenyl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanylmethyl]-1,3-oxazole is Clc1ccccc1-c1cnc(CSCc2nnnn2C2CC2)o1.
What is the InChIKey of 5-(2-chlorophenyl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanylmethyl]-1,3-oxazole?
The InChIKey is NWLYAVMMQSASGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5OS/c16-12-4-2-1-3-11(12)13-7-17-15(22-13)9-23-8-14-18-19-20-21(14)10-5-6-10/h1-4,7,10H,5-6,8-9H2.
What are the key properties of 5-(2-chlorophenyl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanylmethyl]-1,3-oxazole?
5-(2-chlorophenyl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanylmethyl]-1,3-oxazole has a molecular weight of 347.83 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanylmethyl]-1,3-oxazole is sourced from PubChem (CID 71926181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).