4-(2-aminoethyl)-3-pyridin-3-yl-2H-1,2-oxazol-5-one

C10H11N3O2 — CID 4715307

IUPAC4-(2-aminoethyl)-3-pyridin-3-yl-2H-1,2-oxazol-5-one
SMILESNCCc1c(-c2cccnc2)[nH]oc1=O
InChIInChI=1S/C10H11N3O2/c11-4-3-8-9(13-15-10(8)14)7-2-1-5-12-6-7/h1-2,5-6,13H,3-4,11H2
InChIKeyYEWCTSRSQRGUGS-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.53
Rot. Bonds3

About 4-(2-aminoethyl)-3-pyridin-3-yl-2H-1,2-oxazol-5-one

4-(2-aminoethyl)-3-pyridin-3-yl-2H-1,2-oxazol-5-one (PubChem CID 4715307) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3-pyridin-3-yl-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-3-pyridin-3-yl-2H-1,2-oxazol-5-one
PubChem CID4715307
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name4-(2-aminoethyl)-3-pyridin-3-yl-2H-1,2-oxazol-5-one
SMILESNCCc1c(-c2cccnc2)[nH]oc1=O
InChIInChI=1S/C10H11N3O2/c11-4-3-8-9(13-15-10(8)14)7-2-1-5-12-6-7/h1-2,5-6,13H,3-4,11H2
InChIKeyYEWCTSRSQRGUGS-UHFFFAOYSA-N
XLogP0.53
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-3-pyridin-3-yl-2H-1,2-oxazol-5-one?
The IUPAC name of 4-(2-aminoethyl)-3-pyridin-3-yl-2H-1,2-oxazol-5-one (CID 4715307) is 4-(2-aminoethyl)-3-pyridin-3-yl-2H-1,2-oxazol-5-one.
What is the SMILES notation for 4-(2-aminoethyl)-3-pyridin-3-yl-2H-1,2-oxazol-5-one?
The canonical SMILES for 4-(2-aminoethyl)-3-pyridin-3-yl-2H-1,2-oxazol-5-one is NCCc1c(-c2cccnc2)[nH]oc1=O.
What is the InChIKey of 4-(2-aminoethyl)-3-pyridin-3-yl-2H-1,2-oxazol-5-one?
The InChIKey is YEWCTSRSQRGUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c11-4-3-8-9(13-15-10(8)14)7-2-1-5-12-6-7/h1-2,5-6,13H,3-4,11H2.
What are the key properties of 4-(2-aminoethyl)-3-pyridin-3-yl-2H-1,2-oxazol-5-one?
4-(2-aminoethyl)-3-pyridin-3-yl-2H-1,2-oxazol-5-one has a molecular weight of 205.22 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-3-pyridin-3-yl-2H-1,2-oxazol-5-one is sourced from PubChem (CID 4715307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).