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

C15H24N4O — CID 124758995

IUPAC(5R)-3-ethyl-5-[[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole
SMILESCCC1=NO[C@@H](CN2CCC(c3[nH]ncc3C)CC2)C1
InChIInChI=1S/C15H24N4O/c1-3-13-8-14(20-18-13)10-19-6-4-12(5-7-19)15-11(2)9-16-17-15/h9,12,14H,3-8,10H2,1-2H3,(H,16,17)/t14-/m1/s1
InChIKeyZZLJKXAAWBBCCN-CQSZACIVSA-N
MW276.38 g/mol
LogP2.45
Rot. Bonds4

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

(5R)-3-ethyl-5-[[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole (PubChem CID 124758995) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (5R)-3-ethyl-5-[[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-3-ethyl-5-[[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole
PubChem CID124758995
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(5R)-3-ethyl-5-[[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole
SMILESCCC1=NO[C@@H](CN2CCC(c3[nH]ncc3C)CC2)C1
InChIInChI=1S/C15H24N4O/c1-3-13-8-14(20-18-13)10-19-6-4-12(5-7-19)15-11(2)9-16-17-15/h9,12,14H,3-8,10H2,1-2H3,(H,16,17)/t14-/m1/s1
InChIKeyZZLJKXAAWBBCCN-CQSZACIVSA-N
XLogP2.45
TPSA53.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]oxan-4-ol
CID 125008735
4-methyl-5-(oxan-4-yl)-1H-pyrazole
CID 144872646
5-cycloundecyl-4-methyl-1H-pyrazole
CID 173176811
5-[[4-(1-adamantyl)piperazin-1-yl]methyl]-3-ethyl-4,5-dihydro-1,2-oxazole;formic acid
CID 154914395
4-methyl-5-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole
CID 95841783
1-butyl-3-methyl-4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 125022886
(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-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylpiperidine-4-carbonitrile
CID 124751975
2-methoxy-1-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95817389
4,6-dimethyl-2-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidine
CID 95845236
1-methyl-2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]benzimidazole
CID 95845112
(5-methyl-1H-imidazol-2-yl)-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 77087187

Frequently Asked Questions

What is the IUPAC name of (5R)-3-ethyl-5-[[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-3-ethyl-5-[[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole (CID 124758995) is (5R)-3-ethyl-5-[[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-3-ethyl-5-[[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-3-ethyl-5-[[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole is CCC1=NO[C@@H](CN2CCC(c3[nH]ncc3C)CC2)C1.
What is the InChIKey of (5R)-3-ethyl-5-[[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is ZZLJKXAAWBBCCN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-13-8-14(20-18-13)10-19-6-4-12(5-7-19)15-11(2)9-16-17-15/h9,12,14H,3-8,10H2,1-2H3,(H,16,17)/t14-/m1/s1.
What are the key properties of (5R)-3-ethyl-5-[[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole?
(5R)-3-ethyl-5-[[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 276.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-ethyl-5-[[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 124758995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).