1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylpiperidin-4-ol

C14H18N2O3 — CID 80703636

IUPAC1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(Cc2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C14H18N2O3/c1-14(17)4-6-16(7-5-14)10-11-9-13(19-15-11)12-3-2-8-18-12/h2-3,8-9,17H,4-7,10H2,1H3
InChIKeyAGUHEAIKYZFIKP-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.28
Rot. Bonds3

About 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylpiperidin-4-ol

1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylpiperidin-4-ol (PubChem CID 80703636) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylpiperidin-4-ol
PubChem CID80703636
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(Cc2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C14H18N2O3/c1-14(17)4-6-16(7-5-14)10-11-9-13(19-15-11)12-3-2-8-18-12/h2-3,8-9,17H,4-7,10H2,1H3
InChIKeyAGUHEAIKYZFIKP-UHFFFAOYSA-N
XLogP2.28
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpiperidin-4-ol
CID 80706784
2-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1,4-diazepan-1-yl]ethanol
CID 63310200
3-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-5-(furan-2-yl)-1,2-oxazole
CID 8617759
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406001
(3S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119933963
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128980366
1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylazepan-4-ol
CID 107408294
5-(furan-2-yl)-3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 39975470
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methylbenzimidazol-2-one
CID 24609407
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine
CID 7060533
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-3-carboxylic acid
CID 43440721
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 53398902

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylpiperidin-4-ol (CID 80703636) is 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylpiperidin-4-ol is CC1(O)CCN(Cc2cc(-c3ccco3)on2)CC1.
What is the InChIKey of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylpiperidin-4-ol?
The InChIKey is AGUHEAIKYZFIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(17)4-6-16(7-5-14)10-11-9-13(19-15-11)12-3-2-8-18-12/h2-3,8-9,17H,4-7,10H2,1H3.
What are the key properties of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylpiperidin-4-ol?
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylpiperidin-4-ol has a molecular weight of 262.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 80703636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).