5-methyl-2-thiophen-3-yl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole

C17H21N5OS — CID 95341635

IUPAC5-methyl-2-thiophen-3-yl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1oc(-c2ccsc2)nc1CN1CCC[C@@H](Cn2cncn2)C1
InChIInChI=1S/C17H21N5OS/c1-13-16(20-17(23-13)15-4-6-24-10-15)9-21-5-2-3-14(7-21)8-22-12-18-11-19-22/h4,6,10-12,14H,2-3,5,7-9H2,1H3/t14-/m1/s1
InChIKeyRISWATOFHGANDF-CQSZACIVSA-N
MW343.46 g/mol
LogP3.22
Rot. Bonds5

About 5-methyl-2-thiophen-3-yl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole

5-methyl-2-thiophen-3-yl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 95341635) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 5-methyl-2-thiophen-3-yl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-thiophen-3-yl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID95341635
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name5-methyl-2-thiophen-3-yl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1oc(-c2ccsc2)nc1CN1CCC[C@@H](Cn2cncn2)C1
InChIInChI=1S/C17H21N5OS/c1-13-16(20-17(23-13)15-4-6-24-10-15)9-21-5-2-3-14(7-21)8-22-12-18-11-19-22/h4,6,10-12,14H,2-3,5,7-9H2,1H3/t14-/m1/s1
InChIKeyRISWATOFHGANDF-CQSZACIVSA-N
XLogP3.22
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-methyl-2-thiophen-3-yl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

(2S)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95345825
5-methyl-4-[[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole
CID 45202868
2-methyl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]quinoxaline
CID 95312010
1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
CID 110923157
2-methyl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95325530
(2R)-4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95279165
3,5-dimethyl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2-oxazole
CID 95311320
5-methyl-3-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95313243
3-(4-methylphenyl)-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95342707
4-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-methyl-2-thiophen-3-yl-1,3-oxazole
CID 86796826
2-propan-2-yl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 97325558
2-(furan-2-yl)-4-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95341610

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-thiophen-3-yl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-thiophen-3-yl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole (CID 95341635) is 5-methyl-2-thiophen-3-yl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-thiophen-3-yl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-thiophen-3-yl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole is Cc1oc(-c2ccsc2)nc1CN1CCC[C@@H](Cn2cncn2)C1.
What is the InChIKey of 5-methyl-2-thiophen-3-yl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is RISWATOFHGANDF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-13-16(20-17(23-13)15-4-6-24-10-15)9-21-5-2-3-14(7-21)8-22-12-18-11-19-22/h4,6,10-12,14H,2-3,5,7-9H2,1H3/t14-/m1/s1.
What are the key properties of 5-methyl-2-thiophen-3-yl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole?
5-methyl-2-thiophen-3-yl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 343.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-thiophen-3-yl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 95341635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).