5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-3-(2,4-dichlorophenyl)-1,2-oxazole

C15H15Cl2N5OS — CID 30764881

IUPAC5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-3-(2,4-dichlorophenyl)-1,2-oxazole
SMILESCC(C)(C)n1nnnc1SCc1cc(-c2ccc(Cl)cc2Cl)no1
InChIInChI=1S/C15H15Cl2N5OS/c1-15(2,3)22-14(18-20-21-22)24-8-10-7-13(19-23-10)11-5-4-9(16)6-12(11)17/h4-7H,8H2,1-3H3
InChIKeyUABKLRMJDHSSDB-UHFFFAOYSA-N
MW384.29 g/mol
LogP4.68
Rot. Bonds4

About 5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-3-(2,4-dichlorophenyl)-1,2-oxazole

5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-3-(2,4-dichlorophenyl)-1,2-oxazole (PubChem CID 30764881) has the molecular formula C15H15Cl2N5OS and a molecular weight of 384.29 g/mol. Its IUPAC name is 5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-3-(2,4-dichlorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-3-(2,4-dichlorophenyl)-1,2-oxazole
PubChem CID30764881
Molecular FormulaC15H15Cl2N5OS
Molecular Weight384.29 g/mol
Exact Mass383.04
IUPAC Name5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-3-(2,4-dichlorophenyl)-1,2-oxazole
SMILESCC(C)(C)n1nnnc1SCc1cc(-c2ccc(Cl)cc2Cl)no1
InChIInChI=1S/C15H15Cl2N5OS/c1-15(2,3)22-14(18-20-21-22)24-8-10-7-13(19-23-10)11-5-4-9(16)6-12(11)17/h4-7H,8H2,1-3H3
InChIKeyUABKLRMJDHSSDB-UHFFFAOYSA-N
XLogP4.68
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.29
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole
CID 24585122
3-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole
CID 18098780
4-[[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide
CID 30833269
4-(1-tert-butyltetrazol-5-yl)-3-chloroaniline
CID 61351469
3-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-5-phenyl-1,2,4-triazol-4-amine
CID 78835033
5-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-3-(2-methoxyphenyl)-1,2-oxazole
CID 24585126
2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30833258
2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 30833286
2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(2,6-difluorophenyl)propanamide
CID 43058159
(2R)-2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(2,6-difluorophenyl)propanamide
CID 30833272
1-(1-tert-butyltetrazol-5-yl)sulfanyl-3-(4-chlorophenoxy)propan-2-ol
CID 17482802
(2S)-1-(1-tert-butyltetrazol-5-yl)sulfanyl-3-(4-chlorophenoxy)propan-2-ol
CID 26011750

Frequently Asked Questions

What is the IUPAC name of 5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-3-(2,4-dichlorophenyl)-1,2-oxazole?
The IUPAC name of 5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-3-(2,4-dichlorophenyl)-1,2-oxazole (CID 30764881) is 5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-3-(2,4-dichlorophenyl)-1,2-oxazole.
What is the SMILES notation for 5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-3-(2,4-dichlorophenyl)-1,2-oxazole?
The canonical SMILES for 5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-3-(2,4-dichlorophenyl)-1,2-oxazole is CC(C)(C)n1nnnc1SCc1cc(-c2ccc(Cl)cc2Cl)no1.
What is the InChIKey of 5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-3-(2,4-dichlorophenyl)-1,2-oxazole?
The InChIKey is UABKLRMJDHSSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N5OS/c1-15(2,3)22-14(18-20-21-22)24-8-10-7-13(19-23-10)11-5-4-9(16)6-12(11)17/h4-7H,8H2,1-3H3.
What are the key properties of 5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-3-(2,4-dichlorophenyl)-1,2-oxazole?
5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-3-(2,4-dichlorophenyl)-1,2-oxazole has a molecular weight of 384.29 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-3-(2,4-dichlorophenyl)-1,2-oxazole is sourced from PubChem (CID 30764881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).