5-(3-chlorophenyl)-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole

C16H16ClN5OS — CID 37285698

IUPAC5-(3-chlorophenyl)-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole
SMILESClc1cccc(-c2cnc(CSc3nnnn3C3CCCC3)o2)c1
InChIInChI=1S/C16H16ClN5OS/c17-12-5-3-4-11(8-12)14-9-18-15(23-14)10-24-16-19-20-21-22(16)13-6-1-2-7-13/h3-5,8-9,13H,1-2,6-7,10H2
InChIKeyULRYOXHSNMWSCL-UHFFFAOYSA-N
MW361.86 g/mol
LogP4.39
Rot. Bonds5

About 5-(3-chlorophenyl)-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole

5-(3-chlorophenyl)-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole (PubChem CID 37285698) has the molecular formula C16H16ClN5OS and a molecular weight of 361.86 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole
PubChem CID37285698
Molecular FormulaC16H16ClN5OS
Molecular Weight361.86 g/mol
Exact Mass361.08
IUPAC Name5-(3-chlorophenyl)-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole
SMILESClc1cccc(-c2cnc(CSc3nnnn3C3CCCC3)o2)c1
InChIInChI=1S/C16H16ClN5OS/c17-12-5-3-4-11(8-12)14-9-18-15(23-14)10-24-16-19-20-21-22(16)13-6-1-2-7-13/h3-5,8-9,13H,1-2,6-7,10H2
InChIKeyULRYOXHSNMWSCL-UHFFFAOYSA-N
XLogP4.39
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.86
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3-chlorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-1,3-oxazole
CID 33464208
3-chloro-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]aniline
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3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1-cyclopropylimidazolidine-2,4-dione
CID 87022673
5-(2-chlorophenyl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanylmethyl]-1,3-oxazole
CID 71926181
5-(3-chlorophenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole
CID 78790261
N-(3-chlorophenyl)-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide
CID 52546923
4-[2-[3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazol-4-yl]ethyl]morpholine
CID 60601929
[4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]phenyl]methanamine
CID 43530530
1-cyclopentyl-5-[(3-nitrophenyl)methylsulfanyl]tetrazole
CID 27093992
5-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 30932079
3-(3-bromophenyl)-5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 9465562
1-cyclopentyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]tetrazole
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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole?
The IUPAC name of 5-(3-chlorophenyl)-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole (CID 37285698) is 5-(3-chlorophenyl)-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole.
What is the SMILES notation for 5-(3-chlorophenyl)-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole?
The canonical SMILES for 5-(3-chlorophenyl)-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole is Clc1cccc(-c2cnc(CSc3nnnn3C3CCCC3)o2)c1.
What is the InChIKey of 5-(3-chlorophenyl)-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole?
The InChIKey is ULRYOXHSNMWSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5OS/c17-12-5-3-4-11(8-12)14-9-18-15(23-14)10-24-16-19-20-21-22(16)13-6-1-2-7-13/h3-5,8-9,13H,1-2,6-7,10H2.
What are the key properties of 5-(3-chlorophenyl)-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole?
5-(3-chlorophenyl)-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole has a molecular weight of 361.86 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole is sourced from PubChem (CID 37285698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).