1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-3-carboxylic acid

C14H16N2O4 — CID 43440721

IUPAC1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2cc(-c3ccco3)on2)C1
InChIInChI=1S/C14H16N2O4/c17-14(18)10-3-1-5-16(8-10)9-11-7-13(20-15-11)12-4-2-6-19-12/h2,4,6-7,10H,1,3,5,8-9H2,(H,17,18)
InChIKeyKFJUHLPUGPNVNR-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.23
Rot. Bonds4

About 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-3-carboxylic acid

1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-3-carboxylic acid (PubChem CID 43440721) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-3-carboxylic acid
PubChem CID43440721
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2cc(-c3ccco3)on2)C1
InChIInChI=1S/C14H16N2O4/c17-14(18)10-3-1-5-16(8-10)9-11-7-13(20-15-11)12-4-2-6-19-12/h2,4,6-7,10H,1,3,5,8-9H2,(H,17,18)
InChIKeyKFJUHLPUGPNVNR-UHFFFAOYSA-N
XLogP2.23
TPSA79.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43441750
1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid
CID 43171030
(3S,4S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120953932
2-[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-2-yl]acetic acid
CID 61372120
(3S)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119933963
2-[4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1,4-diazepan-1-yl]ethanol
CID 63310200
3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]cyclohexane-1-carboxylic acid
CID 63042810
4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]thiomorpholine-3-carboxylic acid
CID 82906602
[1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]methanol
CID 60685086
1-[(6-amino-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 18771697
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-4-methylpiperidin-4-ol
CID 80703636
[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]-phenylmethanone
CID 56917412

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-3-carboxylic acid (CID 43440721) is 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(Cc2cc(-c3ccco3)on2)C1.
What is the InChIKey of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-3-carboxylic acid?
The InChIKey is KFJUHLPUGPNVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-14(18)10-3-1-5-16(8-10)9-11-7-13(20-15-11)12-4-2-6-19-12/h2,4,6-7,10H,1,3,5,8-9H2,(H,17,18).
What are the key properties of 1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-3-carboxylic acid?
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-3-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 2.23, 4 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]piperidine-3-carboxylic acid is sourced from PubChem (CID 43440721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).