3-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]propanoic acid

C12H16N2O4 — CID 62215797

IUPAC3-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)c2ccon2)CC1
InChIInChI=1S/C12H16N2O4/c15-11(16)2-1-9-3-6-14(7-4-9)12(17)10-5-8-18-13-10/h5,8-9H,1-4,6-7H2,(H,15,16)
InChIKeyMNBMQKXGDPQRCX-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.39
Rot. Bonds4

About 3-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]propanoic acid

3-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]propanoic acid (PubChem CID 62215797) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]propanoic acid
PubChem CID62215797
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)c2ccon2)CC1
InChIInChI=1S/C12H16N2O4/c15-11(16)2-1-9-3-6-14(7-4-9)12(17)10-5-8-18-13-10/h5,8-9H,1-4,6-7H2,(H,15,16)
InChIKeyMNBMQKXGDPQRCX-UHFFFAOYSA-N
XLogP1.39
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 115746646
[4-(methylaminomethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone;hydrochloride
CID 119543358
3-[1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid
CID 81177584
benzene;1,2-oxazol-3-yl(pyrrolidin-1-yl)methanone
CID 167484647
1-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 62715383
2-[[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813533
1-(1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63032522
[3-(2-hydroxyethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 62355750
3-[1-(2-hydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 62216443
3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]propanoic acid
CID 62215789
3-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217819
N-[[5-[[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
CID 110119076

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]propanoic acid (CID 62215797) is 3-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(C(=O)c2ccon2)CC1.
What is the InChIKey of 3-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]propanoic acid?
The InChIKey is MNBMQKXGDPQRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-11(16)2-1-9-3-6-14(7-4-9)12(17)10-5-8-18-13-10/h5,8-9H,1-4,6-7H2,(H,15,16).
What are the key properties of 3-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]propanoic acid?
3-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]propanoic acid has a molecular weight of 252.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62215797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).