4-(4-bromophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine

C13H9BrN4O — CID 114552823

IUPAC4-(4-bromophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ncccn2)c1-c1ccc(Br)cc1
InChIInChI=1S/C13H9BrN4O/c14-9-4-2-8(3-5-9)10-11(18-19-12(10)15)13-16-6-1-7-17-13/h1-7H,15H2
InChIKeyNDGRQZIFGQIKBD-UHFFFAOYSA-N
MW317.15 g/mol
LogP3.14
Rot. Bonds2

About 4-(4-bromophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine

4-(4-bromophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine (PubChem CID 114552823) has the molecular formula C13H9BrN4O and a molecular weight of 317.15 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine
PubChem CID114552823
Molecular FormulaC13H9BrN4O
Molecular Weight317.15 g/mol
Exact Mass316.00
IUPAC Name4-(4-bromophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ncccn2)c1-c1ccc(Br)cc1
InChIInChI=1S/C13H9BrN4O/c14-9-4-2-8(3-5-9)10-11(18-19-12(10)15)13-16-6-1-7-17-13/h1-7H,15H2
InChIKeyNDGRQZIFGQIKBD-UHFFFAOYSA-N
XLogP3.14
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-bromophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine
CID 43158061
3-(2-bromo-3-methylphenyl)-4-(4-bromophenyl)-1,2-oxazol-5-amine
CID 107982866
4-(4-bromophenyl)-3-(2-chlorofuran-3-yl)-1,2-oxazol-5-amine
CID 106687946
4-(4-bromophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972748
4-(2,6-dichlorophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine
CID 114552818
4-(4-bromophenyl)-3-(2-chloro-3-fluorophenyl)-1,2-oxazol-5-amine
CID 81454071
3-(3,5-dibromophenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 107972794
3-(2,4-dibromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 107955260
3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335720
3-(2,4-dibromophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 107955338
3-(2,5-dibromophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 114373473
3-(5-bromo-2-chlorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 80521611

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-bromophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine (CID 114552823) is 4-(4-bromophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-bromophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-bromophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine is Nc1onc(-c2ncccn2)c1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine?
The InChIKey is NDGRQZIFGQIKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4O/c14-9-4-2-8(3-5-9)10-11(18-19-12(10)15)13-16-6-1-7-17-13/h1-7H,15H2.
What are the key properties of 4-(4-bromophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine?
4-(4-bromophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine has a molecular weight of 317.15 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 114552823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).