(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate

C16H18N2O5 — CID 31056787

IUPAC(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
SMILESC/C=C/c1ccc(OCC(=O)OCc2nc(C)no2)c(OC)c1
InChIInChI=1S/C16H18N2O5/c1-4-5-12-6-7-13(14(8-12)20-3)21-10-16(19)22-9-15-17-11(2)18-23-15/h4-8H,9-10H2,1-3H3/b5-4+
InChIKeyIMSMORJRQYKLKB-SNAWJCMRSA-N
MW318.33 g/mol
LogP2.54
Rot. Bonds7

About (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate

(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate (PubChem CID 31056787) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate.

Molecular Properties

Compound Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
PubChem CID31056787
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
SMILESC/C=C/c1ccc(OCC(=O)OCc2nc(C)no2)c(OC)c1
InChIInChI=1S/C16H18N2O5/c1-4-5-12-6-7-13(14(8-12)20-3)21-10-16(19)22-9-15-17-11(2)18-23-15/h4-8H,9-10H2,1-3H3/b5-4+
InChIKeyIMSMORJRQYKLKB-SNAWJCMRSA-N
XLogP2.54
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-methyl-1,2-oxazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 39603297
[3-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-5-yl]methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 55365781
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 29498043
(3-fluoro-4-methoxyphenyl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907826
(2-cyanophenyl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7571220
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7629404
(4-ethoxyphenyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 18284889
1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one
CID 76931733
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7593860
1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 167772638
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8527680
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8527703

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?
The IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate (CID 31056787) is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate.
What is the SMILES notation for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?
The canonical SMILES for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate is C/C=C/c1ccc(OCC(=O)OCc2nc(C)no2)c(OC)c1.
What is the InChIKey of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?
The InChIKey is IMSMORJRQYKLKB-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-4-5-12-6-7-13(14(8-12)20-3)21-10-16(19)22-9-15-17-11(2)18-23-15/h4-8H,9-10H2,1-3H3/b5-4+.
What are the key properties of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate has a molecular weight of 318.33 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate is sourced from PubChem (CID 31056787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).