5-(4-chlorophenyl)-4-methyl-2-[(1S)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3-oxazole

C14H14ClN5OS — CID 97066799

IUPAC5-(4-chlorophenyl)-4-methyl-2-[(1S)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3-oxazole
SMILESCc1nc([C@H](C)Sc2nnnn2C)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN5OS/c1-8-12(10-4-6-11(15)7-5-10)21-13(16-8)9(2)22-14-17-18-19-20(14)3/h4-7,9H,1-3H3/t9-/m0/s1
InChIKeyJFFCIFWJHLMTMJ-VIFPVBQESA-N
MW335.82 g/mol
LogP3.68
Rot. Bonds4

About 5-(4-chlorophenyl)-4-methyl-2-[(1S)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3-oxazole

5-(4-chlorophenyl)-4-methyl-2-[(1S)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3-oxazole (PubChem CID 97066799) has the molecular formula C14H14ClN5OS and a molecular weight of 335.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-methyl-2-[(1S)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-methyl-2-[(1S)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3-oxazole
PubChem CID97066799
Molecular FormulaC14H14ClN5OS
Molecular Weight335.82 g/mol
Exact Mass335.06
IUPAC Name5-(4-chlorophenyl)-4-methyl-2-[(1S)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3-oxazole
SMILESCc1nc([C@H](C)Sc2nnnn2C)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN5OS/c1-8-12(10-4-6-11(15)7-5-10)21-13(16-8)9(2)22-14-17-18-19-20(14)3/h4-7,9H,1-3H3/t9-/m0/s1
InChIKeyJFFCIFWJHLMTMJ-VIFPVBQESA-N
XLogP3.68
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(4-chlorophenyl)-4-methyl-2-[(1S)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3-oxazole with MolForge

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Related Compounds

2-(4-methoxyphenyl)-5-[(1R)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3,4-oxadiazole
CID 9231117
3-(4-chlorophenyl)-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 8515136
2-(1-chloroethyl)-5-(4-fluorophenyl)-4-methyl-1,3-oxazole
CID 43144256
2-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole
CID 43144205
5-[(1R)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 41014241
[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
CID 71683764
3-(4-chlorophenyl)-4-methyl-5-[(1S)-1-phenylethyl]sulfanyl-1,2,4-triazole
CID 2551331
2-(1-chloroethyl)-5-(4-ethylphenyl)-4-methyl-1,3-oxazole
CID 43310151
6-chloro-2-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]sulfanyl-1,3-benzoxazole
CID 100668430
N-methyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine
CID 64621188
2-(2-chloroethyl)-5-(4-chlorophenyl)-4-methyl-1,3-oxazole
CID 43144310
(2S)-N-(5-chloro-2-pyridinyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 2630257

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-methyl-2-[(1S)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3-oxazole?
The IUPAC name of 5-(4-chlorophenyl)-4-methyl-2-[(1S)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3-oxazole (CID 97066799) is 5-(4-chlorophenyl)-4-methyl-2-[(1S)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3-oxazole.
What is the SMILES notation for 5-(4-chlorophenyl)-4-methyl-2-[(1S)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3-oxazole?
The canonical SMILES for 5-(4-chlorophenyl)-4-methyl-2-[(1S)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3-oxazole is Cc1nc([C@H](C)Sc2nnnn2C)oc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-methyl-2-[(1S)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3-oxazole?
The InChIKey is JFFCIFWJHLMTMJ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14ClN5OS/c1-8-12(10-4-6-11(15)7-5-10)21-13(16-8)9(2)22-14-17-18-19-20(14)3/h4-7,9H,1-3H3/t9-/m0/s1.
What are the key properties of 5-(4-chlorophenyl)-4-methyl-2-[(1S)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3-oxazole?
5-(4-chlorophenyl)-4-methyl-2-[(1S)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3-oxazole has a molecular weight of 335.82 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-methyl-2-[(1S)-1-(1-methyltetrazol-5-yl)sulfanylethyl]-1,3-oxazole is sourced from PubChem (CID 97066799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).