4-phenyl-5-pyrimidin-5-yl-1,2-oxazol-3-amine

C13H10N4O — CID 102923019

IUPAC4-phenyl-5-pyrimidin-5-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cncnc2)c1-c1ccccc1
InChIInChI=1S/C13H10N4O/c14-13-11(9-4-2-1-3-5-9)12(18-17-13)10-6-15-8-16-7-10/h1-8H,(H2,14,17)
InChIKeyASRQDIWRNXUECJ-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.38
Rot. Bonds2

About 4-phenyl-5-pyrimidin-5-yl-1,2-oxazol-3-amine

4-phenyl-5-pyrimidin-5-yl-1,2-oxazol-3-amine (PubChem CID 102923019) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-phenyl-5-pyrimidin-5-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-phenyl-5-pyrimidin-5-yl-1,2-oxazol-3-amine
PubChem CID102923019
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name4-phenyl-5-pyrimidin-5-yl-1,2-oxazol-3-amine
SMILESNc1noc(-c2cncnc2)c1-c1ccccc1
InChIInChI=1S/C13H10N4O/c14-13-11(9-4-2-1-3-5-9)12(18-17-13)10-6-15-8-16-7-10/h1-8H,(H2,14,17)
InChIKeyASRQDIWRNXUECJ-UHFFFAOYSA-N
XLogP2.38
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methylphenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199506
5-(4-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66200717
5-(4-iodophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199313
5-(3-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199504
5-(furan-2-yl)-4-phenyl-1,2-oxazol-3-amine
CID 66198713
4-methyl-5-pyrimidin-5-yl-1,2-oxazol-3-amine
CID 102923030
5-(3-chloro-5-methylphenyl)-4-phenyl-1,2-oxazol-3-amine
CID 81324835
5-(3-bromophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80524140
4-(3-chlorophenyl)-5-pyridin-3-yl-1,2-oxazol-3-amine
CID 66200703
5-(3-iodophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80523943
4-(2-methylphenyl)-5-phenyl-1,2-oxazol-3-amine
CID 66204991
5-(3-chloro-4-methylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine
CID 103406964

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-pyrimidin-5-yl-1,2-oxazol-3-amine?
The IUPAC name of 4-phenyl-5-pyrimidin-5-yl-1,2-oxazol-3-amine (CID 102923019) is 4-phenyl-5-pyrimidin-5-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 4-phenyl-5-pyrimidin-5-yl-1,2-oxazol-3-amine?
The canonical SMILES for 4-phenyl-5-pyrimidin-5-yl-1,2-oxazol-3-amine is Nc1noc(-c2cncnc2)c1-c1ccccc1.
What is the InChIKey of 4-phenyl-5-pyrimidin-5-yl-1,2-oxazol-3-amine?
The InChIKey is ASRQDIWRNXUECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-13-11(9-4-2-1-3-5-9)12(18-17-13)10-6-15-8-16-7-10/h1-8H,(H2,14,17).
What are the key properties of 4-phenyl-5-pyrimidin-5-yl-1,2-oxazol-3-amine?
4-phenyl-5-pyrimidin-5-yl-1,2-oxazol-3-amine has a molecular weight of 238.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-pyrimidin-5-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 102923019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).