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

C16H14F3N5O2 — CID 155413568

IUPACN-[1-(2-methoxyphenyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
SMILESCOc1ccccc1C(C)Nc1ncc(-c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C16H14F3N5O2/c1-9(11-5-3-4-6-12(11)25-2)22-15-20-7-10(8-21-15)13-23-14(26-24-13)16(17,18)19/h3-9H,1-2H3,(H,20,21,22)
InChIKeySBDRQOIGOFYOQD-UHFFFAOYSA-N
MW365.32 g/mol
LogP3.73
Rot. Bonds5

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

N-[1-(2-methoxyphenyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine (PubChem CID 155413568) has the molecular formula C16H14F3N5O2 and a molecular weight of 365.32 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
PubChem CID155413568
Molecular FormulaC16H14F3N5O2
Molecular Weight365.32 g/mol
Exact Mass365.11
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
SMILESCOc1ccccc1C(C)Nc1ncc(-c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C16H14F3N5O2/c1-9(11-5-3-4-6-12(11)25-2)22-15-20-7-10(8-21-15)13-23-14(26-24-13)16(17,18)19/h3-9H,1-2H3,(H,20,21,22)
InChIKeySBDRQOIGOFYOQD-UHFFFAOYSA-N
XLogP3.73
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(6-chloro-2-pyridinyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
CID 155744140
1-phenyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]ethane-1,2-diamine
CID 164529336
1-phenyl-N-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]ethane-1,2-diamine;hydrochloride
CID 164529335
5-[5-[chloro(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-[1-(6-chloro-2-pyridinyl)ethyl]pyrimidin-2-amine
CID 155744159
3-(2-methylsulfanylpyrimidin-5-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 142608878
4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 26436569
2-[(1S)-1-(4-fluoro-2-methoxyphenyl)ethyl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3H-isoindol-1-one
CID 134537759
3-chloro-N-(1-pyridin-4-ylethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 71565459
6-methoxy-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pyridin-3-amine
CID 43093893
3-[4-(1-pyridin-2-ylethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 145421115
N,2-dimethoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]benzamide
CID 155768785
3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90464045

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine (CID 155413568) is N-[1-(2-methoxyphenyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine is COc1ccccc1C(C)Nc1ncc(-c2noc(C(F)(F)F)n2)cn1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The InChIKey is SBDRQOIGOFYOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O2/c1-9(11-5-3-4-6-12(11)25-2)22-15-20-7-10(8-21-15)13-23-14(26-24-13)16(17,18)19/h3-9H,1-2H3,(H,20,21,22).
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
N-[1-(2-methoxyphenyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine has a molecular weight of 365.32 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 155413568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).