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

C14H23N5O — CID 124756740

IUPAC(5R)-3-ethyl-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole
SMILESCCC1=NO[C@@H](CN2CCC(c3nncn3C)CC2)C1
InChIInChI=1S/C14H23N5O/c1-3-12-8-13(20-17-12)9-19-6-4-11(5-7-19)14-16-15-10-18(14)2/h10-11,13H,3-9H2,1-2H3/t13-/m1/s1
InChIKeyULIWMYYMKFDXGL-CYBMUJFWSA-N
MW277.37 g/mol
LogP1.55
Rot. Bonds4

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

(5R)-3-ethyl-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole (PubChem CID 124756740) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is (5R)-3-ethyl-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-3-ethyl-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole
PubChem CID124756740
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name(5R)-3-ethyl-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole
SMILESCCC1=NO[C@@H](CN2CCC(c3nncn3C)CC2)C1
InChIInChI=1S/C14H23N5O/c1-3-12-8-13(20-17-12)9-19-6-4-11(5-7-19)14-16-15-10-18(14)2/h10-11,13H,3-9H2,1-2H3/t13-/m1/s1
InChIKeyULIWMYYMKFDXGL-CYBMUJFWSA-N
XLogP1.55
TPSA55.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-3-ethyl-5-[[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole
CID 124758995
3-ethyl-5-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4,5-dihydro-1,2-oxazole;hydrochloride
CID 154905837
4-(4-methyl-1,2,4-triazol-3-yl)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]piperidine
CID 99932002
(5S)-3-ethyl-5-[[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazole
CID 124755119
1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 95841300
5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898786
1-cyclohexyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95730649
(3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95821575
1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 134127452
(2-ethylpyrimidin-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 72885363
1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 124758387
methyl 3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-oxopropanoate
CID 134069581

Frequently Asked Questions

What is the IUPAC name of (5R)-3-ethyl-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-3-ethyl-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole (CID 124756740) is (5R)-3-ethyl-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-3-ethyl-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-3-ethyl-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole is CCC1=NO[C@@H](CN2CCC(c3nncn3C)CC2)C1.
What is the InChIKey of (5R)-3-ethyl-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is ULIWMYYMKFDXGL-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-12-8-13(20-17-12)9-19-6-4-11(5-7-19)14-16-15-10-18(14)2/h10-11,13H,3-9H2,1-2H3/t13-/m1/s1.
What are the key properties of (5R)-3-ethyl-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole?
(5R)-3-ethyl-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 277.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-ethyl-5-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 124756740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).