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

C15H17N3O3 — CID 75368213

IUPAC5-[(1R)-1-(cyclopropylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
SMILESC[C@@H](NCC1CC1)c1onc(-c2cccnc2)c1C(=O)O
InChIInChI=1S/C15H17N3O3/c1-9(17-7-10-4-5-10)14-12(15(19)20)13(18-21-14)11-3-2-6-16-8-11/h2-3,6,8-10,17H,4-5,7H2,1H3,(H,19,20)/t9-/m1/s1
InChIKeyXFYMTIAIMFYOPI-SECBINFHSA-N
MW287.32 g/mol
LogP2.50
Rot. Bonds6

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

5-[(1R)-1-(cyclopropylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 75368213) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-[(1R)-1-(cyclopropylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(1R)-1-(cyclopropylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
PubChem CID75368213
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-[(1R)-1-(cyclopropylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
SMILESC[C@@H](NCC1CC1)c1onc(-c2cccnc2)c1C(=O)O
InChIInChI=1S/C15H17N3O3/c1-9(17-7-10-4-5-10)14-12(15(19)20)13(18-21-14)11-3-2-6-16-8-11/h2-3,6,8-10,17H,4-5,7H2,1H3,(H,19,20)/t9-/m1/s1
InChIKeyXFYMTIAIMFYOPI-SECBINFHSA-N
XLogP2.50
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(cyclopropylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[(1R)-1-(cyclopropylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid (CID 75368213) is 5-[(1R)-1-(cyclopropylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[(1R)-1-(cyclopropylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[(1R)-1-(cyclopropylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid is C[C@@H](NCC1CC1)c1onc(-c2cccnc2)c1C(=O)O.
What is the InChIKey of 5-[(1R)-1-(cyclopropylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is XFYMTIAIMFYOPI-SECBINFHSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9(17-7-10-4-5-10)14-12(15(19)20)13(18-21-14)11-3-2-6-16-8-11/h2-3,6,8-10,17H,4-5,7H2,1H3,(H,19,20)/t9-/m1/s1.
What are the key properties of 5-[(1R)-1-(cyclopropylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?
5-[(1R)-1-(cyclopropylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(cyclopropylmethylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 75368213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).