3-(5-ethylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine

C14H13N3OS — CID 80525019

IUPAC3-(5-ethylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESCCc1ccc(-c2noc(N)c2-c2ccncc2)s1
InChIInChI=1S/C14H13N3OS/c1-2-10-3-4-11(19-10)13-12(14(15)18-17-13)9-5-7-16-8-6-9/h3-8H,2,15H2,1H3
InChIKeyHWUWAZKUEAYDQV-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.61
Rot. Bonds3

About 3-(5-ethylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine

3-(5-ethylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine (PubChem CID 80525019) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-(5-ethylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-ethylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine
PubChem CID80525019
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name3-(5-ethylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESCCc1ccc(-c2noc(N)c2-c2ccncc2)s1
InChIInChI=1S/C14H13N3OS/c1-2-10-3-4-11(19-10)13-12(14(15)18-17-13)9-5-7-16-8-6-9/h3-8H,2,15H2,1H3
InChIKeyHWUWAZKUEAYDQV-UHFFFAOYSA-N
XLogP3.61
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-ethylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine (CID 80525019) is 3-(5-ethylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-ethylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-ethylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine is CCc1ccc(-c2noc(N)c2-c2ccncc2)s1.
What is the InChIKey of 3-(5-ethylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The InChIKey is HWUWAZKUEAYDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-2-10-3-4-11(19-10)13-12(14(15)18-17-13)9-5-7-16-8-6-9/h3-8H,2,15H2,1H3.
What are the key properties of 3-(5-ethylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
3-(5-ethylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine has a molecular weight of 271.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 80525019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).