5-[1-(cyclopentylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid

C17H21N3O3 — CID 162798345

IUPAC5-[1-(cyclopentylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
SMILESCC(NCC1CCCC1)c1onc(-c2cccnc2)c1C(=O)O
InChIInChI=1S/C17H21N3O3/c1-11(19-9-12-5-2-3-6-12)16-14(17(21)22)15(20-23-16)13-7-4-8-18-10-13/h4,7-8,10-12,19H,2-3,5-6,9H2,1H3,(H,21,22)
InChIKeyYLKATGDZOZELDS-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.28
Rot. Bonds6

About 5-[1-(cyclopentylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid

5-[1-(cyclopentylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 162798345) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-[1-(cyclopentylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[1-(cyclopentylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
PubChem CID162798345
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name5-[1-(cyclopentylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
SMILESCC(NCC1CCCC1)c1onc(-c2cccnc2)c1C(=O)O
InChIInChI=1S/C17H21N3O3/c1-11(19-9-12-5-2-3-6-12)16-14(17(21)22)15(20-23-16)13-7-4-8-18-10-13/h4,7-8,10-12,19H,2-3,5-6,9H2,1H3,(H,21,22)
InChIKeyYLKATGDZOZELDS-UHFFFAOYSA-N
XLogP3.28
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1R)-1-(cyclopropylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 75368213
3-(4-chlorophenyl)-5-[(1R)-1-(cyclopentylmethylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 75368201
5-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 75368292
5-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid;hydrochloride
CID 146119660
5-[1-[(4-methoxyphenyl)methylamino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 162807901
5-[(1R)-1-[(4-methoxyphenyl)methylamino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid;dihydrochloride
CID 146119629
5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 75368294
5-[(1R)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 75368297
5-[1-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 118747504
N-cyclopropyl-5-(1-hydroxyethyl)-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 162800243
5-(cyclopropanecarbonylamino)-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
CID 142773853
[5-[(1S)-1-hydroxyethyl]-3-pyridin-3-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 124878355

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopentylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[1-(cyclopentylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid (CID 162798345) is 5-[1-(cyclopentylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[1-(cyclopentylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[1-(cyclopentylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid is CC(NCC1CCCC1)c1onc(-c2cccnc2)c1C(=O)O.
What is the InChIKey of 5-[1-(cyclopentylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is YLKATGDZOZELDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11(19-9-12-5-2-3-6-12)16-14(17(21)22)15(20-23-16)13-7-4-8-18-10-13/h4,7-8,10-12,19H,2-3,5-6,9H2,1H3,(H,21,22).
What are the key properties of 5-[1-(cyclopentylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?
5-[1-(cyclopentylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 315.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopentylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 162798345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).