[5-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol

C13H19N5O2S — CID 97099045

IUPAC[5-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1S[C@H](C)c1nc(C2CC2)no1
InChIInChI=1S/C13H19N5O2S/c1-3-6-18-10(7-19)15-16-13(18)21-8(2)12-14-11(17-20-12)9-4-5-9/h8-9,19H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyVDOXPRPZFXVSHU-MRVPVSSYSA-N
MW309.40 g/mol
LogP2.29
Rot. Bonds7

About [5-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol

[5-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol (PubChem CID 97099045) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is [5-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol
PubChem CID97099045
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name[5-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1S[C@H](C)c1nc(C2CC2)no1
InChIInChI=1S/C13H19N5O2S/c1-3-6-18-10(7-19)15-16-13(18)21-8(2)12-14-11(17-20-12)9-4-5-9/h8-9,19H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyVDOXPRPZFXVSHU-MRVPVSSYSA-N
XLogP2.29
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [5-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

3-cyclopropyl-5-[(1R)-1-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 94477570
3-cyclopropyl-5-[(1S)-1-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 94477569
3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-2-methylpropan-1-ol
CID 111463884
3-cyclopropyl-5-[1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 60514367
5-[(1R)-1-[[5-(4-bromophenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 52909770
3-cyclopropyl-5-[1-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 55845418
3-cyclopropyl-5-[1-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 87018076
3-cyclopropyl-5-[1-[1-(oxan-4-yl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole
CID 56781345
3-cyclopropyl-5-[1-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 60513503
3-cyclopropyl-5-[1-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
CID 78900452
3-cyclopropyl-5-[(1R)-1-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole
CID 94500022
3-(2-bromophenyl)-5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine
CID 55840323

Frequently Asked Questions

What is the IUPAC name of [5-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol (CID 97099045) is [5-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol is CCCn1c(CO)nnc1S[C@H](C)c1nc(C2CC2)no1.
What is the InChIKey of [5-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is VDOXPRPZFXVSHU-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-3-6-18-10(7-19)15-16-13(18)21-8(2)12-14-11(17-20-12)9-4-5-9/h8-9,19H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of [5-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol?
[5-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 309.40 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-4-propyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 97099045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).