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

C11H11F3N4O — CID 103946638

IUPACN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cnc(C(C)Nc2nccc(C(F)(F)F)n2)o1
InChIInChI=1S/C11H11F3N4O/c1-6-5-16-9(19-6)7(2)17-10-15-4-3-8(18-10)11(12,13)14/h3-5,7H,1-2H3,(H,15,17,18)
InChIKeyXCOJUWITYKRWDM-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.96
Rot. Bonds3

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

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 103946638) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID103946638
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cnc(C(C)Nc2nccc(C(F)(F)F)n2)o1
InChIInChI=1S/C11H11F3N4O/c1-6-5-16-9(19-6)7(2)17-10-15-4-3-8(18-10)11(12,13)14/h3-5,7H,1-2H3,(H,15,17,18)
InChIKeyXCOJUWITYKRWDM-UHFFFAOYSA-N
XLogP2.96
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-Ethyl-1,3-oxazol-2-yl)methyl]-3-[2-(1-methylcyclopropyl)pyrimidin-4-yl]urea
CID 126831085
2-N,2-N-dimethyl-4-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 164631259
2,5-Dimethyl-1,3-oxazole;ethane;2-methyl-4-(trifluoromethyl)pyrimidine
CID 169248686
4-(Difluoromethyl)-5-methyl-2-pyrimidin-2-yl-1,3-oxazole
CID 170144648
4,5-Dimethyl-2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methyl]-1,3-oxazole
CID 53546250
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103623952
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 103718664
5-fluoro-6-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 103736690
6-ethyl-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 103880297
5-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 103946675
5-fluoro-6-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 103946693
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 104969953

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 103946638) is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine is Cc1cnc(C(C)Nc2nccc(C(F)(F)F)n2)o1.
What is the InChIKey of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is XCOJUWITYKRWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-6-5-16-9(19-6)7(2)17-10-15-4-3-8(18-10)11(12,13)14/h3-5,7H,1-2H3,(H,15,17,18).
What are the key properties of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 272.23 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 103946638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).