4-[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-amine

C15H11F3N4O — CID 138805638

IUPAC4-[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(-c2cccc(C(F)(F)F)c2)oc1-c1ccnc(N)n1
InChIInChI=1S/C15H11F3N4O/c1-8-12(11-5-6-20-14(19)22-11)23-13(21-8)9-3-2-4-10(7-9)15(16,17)18/h2-7H,1H3,(H2,19,20,22)
InChIKeyUNQISGRWIJZVQN-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.71
Rot. Bonds2

About 4-[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-amine

4-[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-amine (PubChem CID 138805638) has the molecular formula C15H11F3N4O and a molecular weight of 320.27 g/mol. Its IUPAC name is 4-[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-amine
PubChem CID138805638
Molecular FormulaC15H11F3N4O
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC Name4-[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(-c2cccc(C(F)(F)F)c2)oc1-c1ccnc(N)n1
InChIInChI=1S/C15H11F3N4O/c1-8-12(11-5-6-20-14(19)22-11)23-13(21-8)9-3-2-4-10(7-9)15(16,17)18/h2-7H,1H3,(H2,19,20,22)
InChIKeyUNQISGRWIJZVQN-UHFFFAOYSA-N
XLogP3.71
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 21334537
[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methanol
CID 21300962
4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 69406899
2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091916
3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 12569663
4-ethyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 142936042
N-[4-(2-aminopyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2824424
4-[5-[2-methyl-5-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pyrimidin-2-amine
CID 141428953
4-methyl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidine
CID 14281179
5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine
CID 105485175
methyl 5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 122477173
2-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 58513228

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 4-[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-amine (CID 138805638) is 4-[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-amine is Cc1nc(-c2cccc(C(F)(F)F)c2)oc1-c1ccnc(N)n1.
What is the InChIKey of 4-[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-amine?
The InChIKey is UNQISGRWIJZVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O/c1-8-12(11-5-6-20-14(19)22-11)23-13(21-8)9-3-2-4-10(7-9)15(16,17)18/h2-7H,1H3,(H2,19,20,22).
What are the key properties of 4-[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-amine?
4-[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-amine has a molecular weight of 320.27 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 138805638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).