4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

C16H24N4O — CID 86773638

IUPAC4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCCn1cc(C2CCN(Cc3c(C)noc3C)CC2)cn1
InChIInChI=1S/C16H24N4O/c1-4-20-10-15(9-17-20)14-5-7-19(8-6-14)11-16-12(2)18-21-13(16)3/h9-10,14H,4-8,11H2,1-3H3
InChIKeyIMHSTPWGLAJHPW-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.89
Rot. Bonds4

About 4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 86773638) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID86773638
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCCn1cc(C2CCN(Cc3c(C)noc3C)CC2)cn1
InChIInChI=1S/C16H24N4O/c1-4-20-10-15(9-17-20)14-5-7-19(8-6-14)11-16-12(2)18-21-13(16)3/h9-10,14H,4-8,11H2,1-3H3
InChIKeyIMHSTPWGLAJHPW-UHFFFAOYSA-N
XLogP2.89
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752786
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907958
(2R)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)morpholine-4-carboxamide
CID 99826282
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpiperidin-4-ol
CID 114511165
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 56828639
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]propane-1-sulfonamide
CID 37362654
2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethoxy]ethanol
CID 111439622
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 42960378
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 63849125
4-[(4-cyclopropylidenepiperidin-1-yl)methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 121184211
3,5-dimethyl-4-[[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 53192308
3,5-dimethyl-4-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2-oxazole
CID 71981003

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 86773638) is 4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is CCn1cc(C2CCN(Cc3c(C)noc3C)CC2)cn1.
What is the InChIKey of 4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is IMHSTPWGLAJHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-20-10-15(9-17-20)14-5-7-19(8-6-14)11-16-12(2)18-21-13(16)3/h9-10,14H,4-8,11H2,1-3H3.
What are the key properties of 4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 288.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 86773638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).