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

C16H11N3OS — CID 80525497

IUPAC5-(1-benzothiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc3ccccc3s2)c1-c1ccncc1
InChIInChI=1S/C16H11N3OS/c17-16-14(10-5-7-18-8-6-10)15(20-19-16)13-9-11-3-1-2-4-12(11)21-13/h1-9H,(H2,17,19)
InChIKeyWCBIEPDYZNWRLB-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.20
Rot. Bonds2

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

5-(1-benzothiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine (PubChem CID 80525497) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is 5-(1-benzothiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(1-benzothiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine
PubChem CID80525497
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC Name5-(1-benzothiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc3ccccc3s2)c1-c1ccncc1
InChIInChI=1S/C16H11N3OS/c17-16-14(10-5-7-18-8-6-10)15(20-19-16)13-9-11-3-1-2-4-12(11)21-13/h1-9H,(H2,17,19)
InChIKeyWCBIEPDYZNWRLB-UHFFFAOYSA-N
XLogP4.20
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-pyridin-4-yl-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 80525813
5-(2,6-dichlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525736
5-(2-methylsulfanylphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525895
5-thieno[3,2-b]thiophen-5-yl-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 80739587
5-(5-ethylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine
CID 66200911
4-(4-chlorophenyl)-5-(4,5-dibromothiophen-2-yl)-1,2-oxazol-3-amine
CID 80538050
5-(3-chloro-4-methylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 103407055
5-(2,4-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 107954873
5-(3-bromo-5-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 107954872
5-(2,3-difluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525852
4-(3-chlorophenyl)-5-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-3-amine
CID 80738631
5-(3-bromo-5-fluorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80524785

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(1-benzothiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine (CID 80525497) is 5-(1-benzothiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(1-benzothiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(1-benzothiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine is Nc1noc(-c2cc3ccccc3s2)c1-c1ccncc1.
What is the InChIKey of 5-(1-benzothiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
The InChIKey is WCBIEPDYZNWRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c17-16-14(10-5-7-18-8-6-10)15(20-19-16)13-9-11-3-1-2-4-12(11)21-13/h1-9H,(H2,17,19).
What are the key properties of 5-(1-benzothiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
5-(1-benzothiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine has a molecular weight of 293.35 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 80525497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).