5-(4,5-dibromothiophen-2-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine

C14H10Br2N2OS — CID 80538327

IUPAC5-(4,5-dibromothiophen-2-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccccc1-c1c(N)noc1-c1cc(Br)c(Br)s1
InChIInChI=1S/C14H10Br2N2OS/c1-7-4-2-3-5-8(7)11-12(19-18-14(11)17)10-6-9(15)13(16)20-10/h2-6H,1H3,(H2,17,18)
InChIKeyCZQHGDHDANHISM-UHFFFAOYSA-N
MW414.12 g/mol
LogP5.49
Rot. Bonds2

About 5-(4,5-dibromothiophen-2-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine

5-(4,5-dibromothiophen-2-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 80538327) has the molecular formula C14H10Br2N2OS and a molecular weight of 414.12 g/mol. Its IUPAC name is 5-(4,5-dibromothiophen-2-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4,5-dibromothiophen-2-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
PubChem CID80538327
Molecular FormulaC14H10Br2N2OS
Molecular Weight414.12 g/mol
Exact Mass411.89
IUPAC Name5-(4,5-dibromothiophen-2-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccccc1-c1c(N)noc1-c1cc(Br)c(Br)s1
InChIInChI=1S/C14H10Br2N2OS/c1-7-4-2-3-5-8(7)11-12(19-18-14(11)17)10-6-9(15)13(16)20-10/h2-6H,1H3,(H2,17,18)
InChIKeyCZQHGDHDANHISM-UHFFFAOYSA-N
XLogP5.49
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.12
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,5-dibromothiophen-3-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 107967130
4-(4-chlorophenyl)-5-(4,5-dibromothiophen-2-yl)-1,2-oxazol-3-amine
CID 80538050
4-(2-methylphenyl)-5-phenyl-1,2-oxazol-3-amine
CID 66204991
5-(4,5-dibromothiophen-2-yl)-4-(3,5-difluorophenyl)-1,2-oxazol-3-amine
CID 80537331
4-(2-methylphenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66205199
5-(2-methylfuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66204587
5-(4-iodophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66205001
5-(3-bromo-4-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-3-amine
CID 81480212
5-(3-chloro-4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 82878281
5-(furan-3-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66205205
5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66198096
4-(3,4-dichlorophenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66200018

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dibromothiophen-2-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(4,5-dibromothiophen-2-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine (CID 80538327) is 5-(4,5-dibromothiophen-2-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4,5-dibromothiophen-2-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4,5-dibromothiophen-2-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine is Cc1ccccc1-c1c(N)noc1-c1cc(Br)c(Br)s1.
What is the InChIKey of 5-(4,5-dibromothiophen-2-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is CZQHGDHDANHISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2OS/c1-7-4-2-3-5-8(7)11-12(19-18-14(11)17)10-6-9(15)13(16)20-10/h2-6H,1H3,(H2,17,18).
What are the key properties of 5-(4,5-dibromothiophen-2-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine?
5-(4,5-dibromothiophen-2-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 414.12 g/mol, XLogP of 5.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dibromothiophen-2-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 80538327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).