1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]triazole-4-carboxylic acid

C15H17N5O4 — CID 154744231

IUPAC1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(C2CCCN(C(=O)c3cc(C4CC4)on3)C2)nn1
InChIInChI=1S/C15H17N5O4/c21-14(11-6-13(24-17-11)9-3-4-9)19-5-1-2-10(7-19)20-8-12(15(22)23)16-18-20/h6,8-10H,1-5,7H2,(H,22,23)
InChIKeyVWXMHQWRUWKFEF-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.32
Rot. Bonds4

About 1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]triazole-4-carboxylic acid

1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]triazole-4-carboxylic acid (PubChem CID 154744231) has the molecular formula C15H17N5O4 and a molecular weight of 331.33 g/mol. Its IUPAC name is 1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]triazole-4-carboxylic acid
PubChem CID154744231
Molecular FormulaC15H17N5O4
Molecular Weight331.33 g/mol
Exact Mass331.13
IUPAC Name1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(C2CCCN(C(=O)c3cc(C4CC4)on3)C2)nn1
InChIInChI=1S/C15H17N5O4/c21-14(11-6-13(24-17-11)9-3-4-9)19-5-1-2-10(7-19)20-8-12(15(22)23)16-18-20/h6,8-10H,1-5,7H2,(H,22,23)
InChIKeyVWXMHQWRUWKFEF-UHFFFAOYSA-N
XLogP1.32
TPSA114.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methanone
CID 126947170
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 90505051
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-phenylazepan-1-yl)methanone
CID 90608568
(1-cyclohexyltriazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 45191024
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63104546
1-[1-(3-methoxy-2-methylbenzoyl)piperidin-3-yl]triazole-4-carboxylic acid
CID 136552055
[1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone
CID 45215437
1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid
CID 129493827
[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 126901183
1-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-3-yl]triazole-4-carboxylic acid
CID 136553547
tert-butyl 3-[4-(aziridine-1-carbonyl)triazol-1-yl]piperidine-1-carboxylate
CID 103954440
1-[1-(2-tert-butyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]triazole-4-carboxylic acid
CID 126824714

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]triazole-4-carboxylic acid?
The IUPAC name of 1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]triazole-4-carboxylic acid (CID 154744231) is 1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]triazole-4-carboxylic acid is O=C(O)c1cn(C2CCCN(C(=O)c3cc(C4CC4)on3)C2)nn1.
What is the InChIKey of 1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]triazole-4-carboxylic acid?
The InChIKey is VWXMHQWRUWKFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O4/c21-14(11-6-13(24-17-11)9-3-4-9)19-5-1-2-10(7-19)20-8-12(15(22)23)16-18-20/h6,8-10H,1-5,7H2,(H,22,23).
What are the key properties of 1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]triazole-4-carboxylic acid?
1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]triazole-4-carboxylic acid has a molecular weight of 331.33 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 154744231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).