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

C14H13N3OS — CID 80521630

IUPAC3-(4,5-dimethylthiophen-2-yl)-4-pyridin-2-yl-1,2-oxazol-5-amine
SMILESCc1cc(-c2noc(N)c2-c2ccccn2)sc1C
InChIInChI=1S/C14H13N3OS/c1-8-7-11(19-9(8)2)13-12(14(15)18-17-13)10-5-3-4-6-16-10/h3-7H,15H2,1-2H3
InChIKeyNIYCKQRUHZDXEG-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.66
Rot. Bonds2

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

3-(4,5-dimethylthiophen-2-yl)-4-pyridin-2-yl-1,2-oxazol-5-amine (PubChem CID 80521630) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-(4,5-dimethylthiophen-2-yl)-4-pyridin-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4,5-dimethylthiophen-2-yl)-4-pyridin-2-yl-1,2-oxazol-5-amine
PubChem CID80521630
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name3-(4,5-dimethylthiophen-2-yl)-4-pyridin-2-yl-1,2-oxazol-5-amine
SMILESCc1cc(-c2noc(N)c2-c2ccccn2)sc1C
InChIInChI=1S/C14H13N3OS/c1-8-7-11(19-9(8)2)13-12(14(15)18-17-13)10-5-3-4-6-16-10/h3-7H,15H2,1-2H3
InChIKeyNIYCKQRUHZDXEG-UHFFFAOYSA-N
XLogP3.66
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-pyridin-2-yl-3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine
CID 80521077
4-(2,6-dichlorophenyl)-3-(4,5-dimethylthiophen-2-yl)-1,2-oxazol-5-amine
CID 65239414
3-(4,5-dimethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 80521046
3-(3-chloro-5-methylphenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 81323738
3-(furan-3-yl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 80521431
3-(5-bromo-2-chlorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 80521611
3-(4-chloro-2,5-difluorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 82772619
3-(1-benzothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine
CID 61406979
2-(4-chloro-5-methylthiophen-2-yl)pyridine
CID 174439446
3-[2-(4-methylphenyl)ethyl]-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 80521081
3-(2,2-dimethylcyclopropyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 107001966
5-(5-bromo-4-methylthiophen-2-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521102

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethylthiophen-2-yl)-4-pyridin-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(4,5-dimethylthiophen-2-yl)-4-pyridin-2-yl-1,2-oxazol-5-amine (CID 80521630) is 3-(4,5-dimethylthiophen-2-yl)-4-pyridin-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4,5-dimethylthiophen-2-yl)-4-pyridin-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4,5-dimethylthiophen-2-yl)-4-pyridin-2-yl-1,2-oxazol-5-amine is Cc1cc(-c2noc(N)c2-c2ccccn2)sc1C.
What is the InChIKey of 3-(4,5-dimethylthiophen-2-yl)-4-pyridin-2-yl-1,2-oxazol-5-amine?
The InChIKey is NIYCKQRUHZDXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-8-7-11(19-9(8)2)13-12(14(15)18-17-13)10-5-3-4-6-16-10/h3-7H,15H2,1-2H3.
What are the key properties of 3-(4,5-dimethylthiophen-2-yl)-4-pyridin-2-yl-1,2-oxazol-5-amine?
3-(4,5-dimethylthiophen-2-yl)-4-pyridin-2-yl-1,2-oxazol-5-amine has a molecular weight of 271.34 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethylthiophen-2-yl)-4-pyridin-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 80521630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).