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

C13H10ClN3OS — CID 103407055

IUPAC5-(3-chloro-4-methylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine
SMILESCc1csc(-c2onc(N)c2-c2ccncc2)c1Cl
InChIInChI=1S/C13H10ClN3OS/c1-7-6-19-12(10(7)14)11-9(13(15)17-18-11)8-2-4-16-5-3-8/h2-6H,1H3,(H2,15,17)
InChIKeyOHAYNURJDUNBMY-UHFFFAOYSA-N
MW291.76 g/mol
LogP4.01
Rot. Bonds2

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

5-(3-chloro-4-methylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine (PubChem CID 103407055) has the molecular formula C13H10ClN3OS and a molecular weight of 291.76 g/mol. Its IUPAC name is 5-(3-chloro-4-methylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-4-methylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine
PubChem CID103407055
Molecular FormulaC13H10ClN3OS
Molecular Weight291.76 g/mol
Exact Mass291.02
IUPAC Name5-(3-chloro-4-methylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine
SMILESCc1csc(-c2onc(N)c2-c2ccncc2)c1Cl
InChIInChI=1S/C13H10ClN3OS/c1-7-6-19-12(10(7)14)11-9(13(15)17-18-11)8-2-4-16-5-3-8/h2-6H,1H3,(H2,15,17)
InChIKeyOHAYNURJDUNBMY-UHFFFAOYSA-N
XLogP4.01
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chloro-4-methylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine
CID 103406964
5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2-oxazol-3-amine
CID 103406991
5-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-3-amine
CID 103407025
5-(3-chloro-4-methylthiophen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
CID 103407009
5-(2,6-dichlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525736
4-pyridin-4-yl-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 80525813
3-(3-chloro-4-methylthiophen-2-yl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine
CID 103402471
5-(3-bromo-5-chlorophenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 107954872
5-(3-methoxy-4-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525603
5-(1-benzothiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525497
5-(3-amino-4-pyridin-4-yl-1,2-oxazol-5-yl)-2-methyl-1H-pyridin-4-one
CID 136812972
5-(2-methylsulfanylphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525895

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-chloro-4-methylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine (CID 103407055) is 5-(3-chloro-4-methylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-chloro-4-methylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-chloro-4-methylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine is Cc1csc(-c2onc(N)c2-c2ccncc2)c1Cl.
What is the InChIKey of 5-(3-chloro-4-methylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
The InChIKey is OHAYNURJDUNBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS/c1-7-6-19-12(10(7)14)11-9(13(15)17-18-11)8-2-4-16-5-3-8/h2-6H,1H3,(H2,15,17).
What are the key properties of 5-(3-chloro-4-methylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine?
5-(3-chloro-4-methylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine has a molecular weight of 291.76 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 103407055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).