3-(piperidine-1-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxylic acid

C13H17N3O4 — CID 68643968

IUPAC3-(piperidine-1-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2onc(C(=O)N3CCCCC3)c2C1
InChIInChI=1S/C13H17N3O4/c17-12(15-5-2-1-3-6-15)11-9-8-16(13(18)19)7-4-10(9)20-14-11/h1-8H2,(H,18,19)
InChIKeySNTYOMJEYXWAIW-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.34
Rot. Bonds1

About 3-(piperidine-1-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxylic acid

3-(piperidine-1-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxylic acid (PubChem CID 68643968) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-(piperidine-1-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-(piperidine-1-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxylic acid
PubChem CID68643968
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name3-(piperidine-1-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxylic acid
SMILESO=C(O)N1CCc2onc(C(=O)N3CCCCC3)c2C1
InChIInChI=1S/C13H17N3O4/c17-12(15-5-2-1-3-6-15)11-9-8-16(13(18)19)7-4-10(9)20-14-11/h1-8H2,(H,18,19)
InChIKeySNTYOMJEYXWAIW-UHFFFAOYSA-N
XLogP1.34
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-pyrrolidin-1-ylmethanone
CID 17022431
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 122335027
N,N-dimethyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-sulfonamide
CID 11951527
(4-benzhydrylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone
CID 3239471
N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]propanamide
CID 155871943
N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]benzenesulfonamide
CID 155872967
4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 163346701
3-amino-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylic acid
CID 175025961
[4-(2-fluorophenyl)piperazin-1-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone
CID 20923855
(6R)-1-acetyl-N-methyl-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)-1,4-diazepane-6-carboxamide
CID 125021208
5-(1-methyl-5-phenylpyrazole-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid
CID 166337118
N,1-dimethyl-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)-1,4-diazepane-6-carboxamide
CID 127245336

Frequently Asked Questions

What is the IUPAC name of 3-(piperidine-1-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxylic acid?
The IUPAC name of 3-(piperidine-1-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxylic acid (CID 68643968) is 3-(piperidine-1-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-(piperidine-1-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxylic acid?
The canonical SMILES for 3-(piperidine-1-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxylic acid is O=C(O)N1CCc2onc(C(=O)N3CCCCC3)c2C1.
What is the InChIKey of 3-(piperidine-1-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxylic acid?
The InChIKey is SNTYOMJEYXWAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-12(15-5-2-1-3-6-15)11-9-8-16(13(18)19)7-4-10(9)20-14-11/h1-8H2,(H,18,19).
What are the key properties of 3-(piperidine-1-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxylic acid?
3-(piperidine-1-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidine-1-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 68643968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).