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

C14H11ClN2OS — CID 103406964

IUPAC5-(3-chloro-4-methylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine
SMILESCc1csc(-c2onc(N)c2-c2ccccc2)c1Cl
InChIInChI=1S/C14H11ClN2OS/c1-8-7-19-13(11(8)15)12-10(14(16)17-18-12)9-5-3-2-4-6-9/h2-7H,1H3,(H2,16,17)
InChIKeyXBJHRKAPCZANNC-UHFFFAOYSA-N
MW290.78 g/mol
LogP4.61
Rot. Bonds2

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

5-(3-chloro-4-methylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine (PubChem CID 103406964) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is 5-(3-chloro-4-methylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-4-methylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine
PubChem CID103406964
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC Name5-(3-chloro-4-methylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine
SMILESCc1csc(-c2onc(N)c2-c2ccccc2)c1Cl
InChIInChI=1S/C14H11ClN2OS/c1-8-7-19-13(11(8)15)12-10(14(16)17-18-12)9-5-3-2-4-6-9/h2-7H,1H3,(H2,16,17)
InChIKeyXBJHRKAPCZANNC-UHFFFAOYSA-N
XLogP4.61
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-4-methylthiophen-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 103407055
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-(4-methylphenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199506
5-(3-chloro-4-methylthiophen-2-yl)-4-(2-methylpropyl)-1,2-oxazol-3-amine
CID 103407009
5-(3-chloro-5-methylphenyl)-4-phenyl-1,2-oxazol-3-amine
CID 81324835
5-(4-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66200717
5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199504
3-(3-chloro-4-methylthiophen-2-yl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine
CID 103402471
4-phenyl-5-pyrimidin-5-yl-1,2-oxazol-3-amine
CID 102923019
4-(3-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2-oxazol-3-amine
CID 80642541
4-(2-methylphenyl)-5-phenyl-1,2-oxazol-3-amine
CID 66204991

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-chloro-4-methylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine (CID 103406964) is 5-(3-chloro-4-methylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-chloro-4-methylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-chloro-4-methylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine is Cc1csc(-c2onc(N)c2-c2ccccc2)c1Cl.
What is the InChIKey of 5-(3-chloro-4-methylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine?
The InChIKey is XBJHRKAPCZANNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c1-8-7-19-13(11(8)15)12-10(14(16)17-18-12)9-5-3-2-4-6-9/h2-7H,1H3,(H2,16,17).
What are the key properties of 5-(3-chloro-4-methylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine?
5-(3-chloro-4-methylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine has a molecular weight of 290.78 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine is sourced from PubChem (CID 103406964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).