(5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate

C16H17NO5 — CID 8665539

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
SMILESCOc1cc(/C=C/C(=O)OCc2cc(C)on2)cc(OC)c1
InChIInChI=1S/C16H17NO5/c1-11-6-13(17-22-11)10-21-16(18)5-4-12-7-14(19-2)9-15(8-12)20-3/h4-9H,10H2,1-3H3/b5-4+
InChIKeyZSVHHFHKHMPWBT-SNAWJCMRSA-N
MW303.31 g/mol
LogP2.76
Rot. Bonds6

About (5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate

(5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate (PubChem CID 8665539) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
PubChem CID8665539
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
SMILESCOc1cc(/C=C/C(=O)OCc2cc(C)on2)cc(OC)c1
InChIInChI=1S/C16H17NO5/c1-11-6-13(17-22-11)10-21-16(18)5-4-12-7-14(19-2)9-15(8-12)20-3/h4-9H,10H2,1-3H3/b5-4+
InChIKeyZSVHHFHKHMPWBT-SNAWJCMRSA-N
XLogP2.76
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)methyl 3,5-dimethoxybenzoate
CID 8872522
(5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(4-cyanophenyl)prop-2-enoate
CID 8956454
(5-methyl-1,2-oxazol-3-yl)methyl (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 8939747
(5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate
CID 9063219
(5-methyl-1,2-oxazol-3-yl)methyl (E)-3-[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate
CID 9059990
(2-ethyl-1,3-thiazol-4-yl)methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 134039416
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 8665460
(5-methyl-1,2-oxazol-3-yl)methyl (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate
CID 28569989
(5-methyl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methoxybenzoate
CID 8945252
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 2542383
cyanomethyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 8664719
[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 8665468

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate (CID 8665539) is (5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate is COc1cc(/C=C/C(=O)OCc2cc(C)on2)cc(OC)c1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate?
The InChIKey is ZSVHHFHKHMPWBT-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H17NO5/c1-11-6-13(17-22-11)10-21-16(18)5-4-12-7-14(19-2)9-15(8-12)20-3/h4-9H,10H2,1-3H3/b5-4+.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate?
(5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate has a molecular weight of 303.31 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 8665539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).