2-(2-piperidin-1-ylpropylamino)-1,3-oxazole-4-carboxylic acid

C12H19N3O3 — CID 113377235

IUPAC2-(2-piperidin-1-ylpropylamino)-1,3-oxazole-4-carboxylic acid
SMILESCC(CNc1nc(C(=O)O)co1)N1CCCCC1
InChIInChI=1S/C12H19N3O3/c1-9(15-5-3-2-4-6-15)7-13-12-14-10(8-18-12)11(16)17/h8-9H,2-7H2,1H3,(H,13,14)(H,16,17)
InChIKeyBERYXYAQEGOOGN-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.66
Rot. Bonds5

About 2-(2-piperidin-1-ylpropylamino)-1,3-oxazole-4-carboxylic acid

2-(2-piperidin-1-ylpropylamino)-1,3-oxazole-4-carboxylic acid (PubChem CID 113377235) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylpropylamino)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-piperidin-1-ylpropylamino)-1,3-oxazole-4-carboxylic acid
PubChem CID113377235
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-(2-piperidin-1-ylpropylamino)-1,3-oxazole-4-carboxylic acid
SMILESCC(CNc1nc(C(=O)O)co1)N1CCCCC1
InChIInChI=1S/C12H19N3O3/c1-9(15-5-3-2-4-6-15)7-13-12-14-10(8-18-12)11(16)17/h8-9H,2-7H2,1H3,(H,13,14)(H,16,17)
InChIKeyBERYXYAQEGOOGN-UHFFFAOYSA-N
XLogP1.66
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methyl-1,2,4-triazol-3-yl)propylamino]-1,3-oxazole-4-carboxylic acid
CID 167888031
N-[2-(azocan-1-yl)propyl]aniline
CID 62558695
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1,3-oxazole-4-carboxylic acid
CID 106435570
2-[(3-morpholin-4-yl-3-oxopropyl)amino]-1,3-oxazole-4-carboxylic acid
CID 113411549
4-methyl-2-(2-piperidin-1-ylpropylamino)benzoic acid
CID 62710645
N-methyl-4-(2-piperidin-1-ylpropylamino)pyridine-2-carboxamide
CID 61017690
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-oxazole-4-carboxylic acid
CID 114982862
5-acetyl-2-(2-pyrrolidin-1-ylpropylamino)-1,3-thiazole-4-carboxylic acid
CID 106697934
2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-oxazole-4-carboxylic acid
CID 113377319
2-(2-pyrrolidin-1-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697328
2-fluoro-6-(2-piperidin-1-ylpropylamino)benzoic acid
CID 79522274
3-(4-fluorophenyl)-N-(2-piperidin-1-ylpropyl)propanamide
CID 110620539

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ylpropylamino)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2-piperidin-1-ylpropylamino)-1,3-oxazole-4-carboxylic acid (CID 113377235) is 2-(2-piperidin-1-ylpropylamino)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-piperidin-1-ylpropylamino)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2-piperidin-1-ylpropylamino)-1,3-oxazole-4-carboxylic acid is CC(CNc1nc(C(=O)O)co1)N1CCCCC1.
What is the InChIKey of 2-(2-piperidin-1-ylpropylamino)-1,3-oxazole-4-carboxylic acid?
The InChIKey is BERYXYAQEGOOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9(15-5-3-2-4-6-15)7-13-12-14-10(8-18-12)11(16)17/h8-9H,2-7H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 2-(2-piperidin-1-ylpropylamino)-1,3-oxazole-4-carboxylic acid?
2-(2-piperidin-1-ylpropylamino)-1,3-oxazole-4-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylpropylamino)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 113377235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).