(S)-[4-methyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-phenylmethanol

C19H17N5O2S — CID 7394360

IUPAC(S)-[4-methyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-phenylmethanol
SMILESCn1c(SCc2nnc(-c3ccccc3)o2)nnc1[C@@H](O)c1ccccc1
InChIInChI=1S/C19H17N5O2S/c1-24-17(16(25)13-8-4-2-5-9-13)21-23-19(24)27-12-15-20-22-18(26-15)14-10-6-3-7-11-14/h2-11,16,25H,12H2,1H3/t16-/m0/s1
InChIKeyTWDQBKRDDQFMMB-INIZCTEOSA-N
MW379.45 g/mol
LogP3.24
Rot. Bonds6

About (S)-[4-methyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-phenylmethanol

(S)-[4-methyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-phenylmethanol (PubChem CID 7394360) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is (S)-[4-methyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[4-methyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-phenylmethanol
PubChem CID7394360
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name(S)-[4-methyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-phenylmethanol
SMILESCn1c(SCc2nnc(-c3ccccc3)o2)nnc1[C@@H](O)c1ccccc1
InChIInChI=1S/C19H17N5O2S/c1-24-17(16(25)13-8-4-2-5-9-13)21-23-19(24)27-12-15-20-22-18(26-15)14-10-6-3-7-11-14/h2-11,16,25H,12H2,1H3/t16-/m0/s1
InChIKeyTWDQBKRDDQFMMB-INIZCTEOSA-N
XLogP3.24
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (S)-[4-methyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-phenylmethanol with MolForge

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Related Compounds

2-(4-bromophenyl)-5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 16541594
2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 18075844
2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 1375449
4-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 8980150
2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 95990008
2-(2-methylphenyl)-5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 110656440
2-[[5-(3-ethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 2961511
(R)-[4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-phenylmethanol
CID 7380461
2-(2-bromophenyl)-5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 2623215
2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 112781732
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 78819697
2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 17456633

Frequently Asked Questions

What is the IUPAC name of (S)-[4-methyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-phenylmethanol?
The IUPAC name of (S)-[4-methyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-phenylmethanol (CID 7394360) is (S)-[4-methyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-phenylmethanol.
What is the SMILES notation for (S)-[4-methyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-phenylmethanol?
The canonical SMILES for (S)-[4-methyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-phenylmethanol is Cn1c(SCc2nnc(-c3ccccc3)o2)nnc1[C@@H](O)c1ccccc1.
What is the InChIKey of (S)-[4-methyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-phenylmethanol?
The InChIKey is TWDQBKRDDQFMMB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-24-17(16(25)13-8-4-2-5-9-13)21-23-19(24)27-12-15-20-22-18(26-15)14-10-6-3-7-11-14/h2-11,16,25H,12H2,1H3/t16-/m0/s1.
What are the key properties of (S)-[4-methyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-phenylmethanol?
(S)-[4-methyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-phenylmethanol has a molecular weight of 379.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[4-methyl-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]-phenylmethanol is sourced from PubChem (CID 7394360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).