methyl (E)-3-methoxy-2-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]prop-2-enoate

C16H18N2O5 — CID 138476265

IUPACmethyl (E)-3-methoxy-2-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]prop-2-enoate
SMILESCCCc1nnc(Oc2ccccc2/C(=C\OC)C(=O)OC)o1
InChIInChI=1S/C16H18N2O5/c1-4-7-14-17-18-16(23-14)22-13-9-6-5-8-11(13)12(10-20-2)15(19)21-3/h5-6,8-10H,4,7H2,1-3H3/b12-10+
InChIKeyHFMDZSHFFYAPLM-ZRDIBKRKSA-N
MW318.33 g/mol
LogP2.97
Rot. Bonds7

About methyl (E)-3-methoxy-2-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]prop-2-enoate

methyl (E)-3-methoxy-2-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]prop-2-enoate (PubChem CID 138476265) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is methyl (E)-3-methoxy-2-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-methoxy-2-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]prop-2-enoate
PubChem CID138476265
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Namemethyl (E)-3-methoxy-2-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]prop-2-enoate
SMILESCCCc1nnc(Oc2ccccc2/C(=C\OC)C(=O)OC)o1
InChIInChI=1S/C16H18N2O5/c1-4-7-14-17-18-16(23-14)22-13-9-6-5-8-11(13)12(10-20-2)15(19)21-3/h5-6,8-10H,4,7H2,1-3H3/b12-10+
InChIKeyHFMDZSHFFYAPLM-ZRDIBKRKSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-methoxy-2-[2-[(6-methyl-3-pyridinyl)oxy]phenyl]prop-2-enoate
CID 54282880
methyl (E)-3-methoxy-2-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)oxy]phenyl]prop-2-enoate
CID 67782160
methyl (Z)-2-[2-(3-aminophenoxy)phenyl]-3-methoxyprop-2-enoate
CID 67784963
methyl 2-[2-(6-chloropyrazin-2-yl)oxyphenyl]-3-methoxyprop-2-enoate
CID 54220011
methyl 2-[2-[[4-(diethylamino)-6-phenoxy-1,3,5-triazin-2-yl]oxy]phenyl]-3-methoxyprop-2-enoate
CID 5085833
methyl 3-methoxy-2-[2-[(4-phenoxy-1,3,5-triazin-2-yl)oxy]phenyl]prop-2-enoate
CID 54201537
methyl 2-[2-(3-anilinophenoxy)phenyl]-3-methoxyprop-2-enoate
CID 54157261
methyl (E)-3-methoxy-2-[2-[6-(2-sulfanylphenoxy)pyrimidin-4-yl]oxyphenyl]prop-2-enoate
CID 160938995
2-[(Z)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]benzoic acid
CID 12680860
methyl 3-methoxy-2-naphthalen-1-ylprop-2-enoate
CID 57075393
methyl (E)-3-methoxy-2-[2-[(5-nitro-1,3-thiazol-2-yl)oxy]phenyl]prop-2-enoate
CID 14421305
methyl 3-methoxy-2-[2-[(5-nitro-2-pyridinyl)oxy]phenyl]prop-2-enoate
CID 54065265

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-methoxy-2-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-methoxy-2-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]prop-2-enoate (CID 138476265) is methyl (E)-3-methoxy-2-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-methoxy-2-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-methoxy-2-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]prop-2-enoate is CCCc1nnc(Oc2ccccc2/C(=C\OC)C(=O)OC)o1.
What is the InChIKey of methyl (E)-3-methoxy-2-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]prop-2-enoate?
The InChIKey is HFMDZSHFFYAPLM-ZRDIBKRKSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-4-7-14-17-18-16(23-14)22-13-9-6-5-8-11(13)12(10-20-2)15(19)21-3/h5-6,8-10H,4,7H2,1-3H3/b12-10+.
What are the key properties of methyl (E)-3-methoxy-2-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]prop-2-enoate?
methyl (E)-3-methoxy-2-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]prop-2-enoate has a molecular weight of 318.33 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-methoxy-2-[2-[(5-propyl-1,3,4-oxadiazol-2-yl)oxy]phenyl]prop-2-enoate is sourced from PubChem (CID 138476265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).