4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-6-chloropyrimidin-2-amine

C16H16ClN5O2 — CID 47983084

IUPAC4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-6-chloropyrimidin-2-amine
SMILESCCCCc1nc(-c2cccc(Oc3cc(Cl)nc(N)n3)c2)no1
InChIInChI=1S/C16H16ClN5O2/c1-2-3-7-13-20-15(22-24-13)10-5-4-6-11(8-10)23-14-9-12(17)19-16(18)21-14/h4-6,8-9H,2-3,7H2,1H3,(H2,18,19,21)
InChIKeyDYVHYHGLSWAWDU-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.90
Rot. Bonds6

About 4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-6-chloropyrimidin-2-amine

4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-6-chloropyrimidin-2-amine (PubChem CID 47983084) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is 4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-6-chloropyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-6-chloropyrimidin-2-amine
PubChem CID47983084
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC Name4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-6-chloropyrimidin-2-amine
SMILESCCCCc1nc(-c2cccc(Oc3cc(Cl)nc(N)n3)c2)no1
InChIInChI=1S/C16H16ClN5O2/c1-2-3-7-13-20-15(22-24-13)10-5-4-6-11(8-10)23-14-9-12(17)19-16(18)21-14/h4-6,8-9H,2-3,7H2,1H3,(H2,18,19,21)
InChIKeyDYVHYHGLSWAWDU-UHFFFAOYSA-N
XLogP3.90
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-butyl-3-[3-[(2,3,5,6-tetrafluoro-4-pyridinyl)oxy]phenyl]-1,2,4-oxadiazole
CID 133371723
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
2-[3-(3-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008142
6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 43152107
3-[3,5-bis[5-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 59491909
3-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[3-[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazole;methane
CID 158479499
5-pentyl-3-phenyl-1,2,4-oxadiazole
CID 19658049
3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole
CID 24848734
5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole
CID 60984808
3-[3-(3-aminophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79201009
3-(3-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 2989886
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-chloropyridine-3-carboxylate
CID 8017406

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-6-chloropyrimidin-2-amine?
The IUPAC name of 4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-6-chloropyrimidin-2-amine (CID 47983084) is 4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-6-chloropyrimidin-2-amine.
What is the SMILES notation for 4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-6-chloropyrimidin-2-amine?
The canonical SMILES for 4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-6-chloropyrimidin-2-amine is CCCCc1nc(-c2cccc(Oc3cc(Cl)nc(N)n3)c2)no1.
What is the InChIKey of 4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-6-chloropyrimidin-2-amine?
The InChIKey is DYVHYHGLSWAWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c1-2-3-7-13-20-15(22-24-13)10-5-4-6-11(8-10)23-14-9-12(17)19-16(18)21-14/h4-6,8-9H,2-3,7H2,1H3,(H2,18,19,21).
What are the key properties of 4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-6-chloropyrimidin-2-amine?
4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-6-chloropyrimidin-2-amine has a molecular weight of 345.79 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-6-chloropyrimidin-2-amine is sourced from PubChem (CID 47983084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).