4,4-dimethyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-5H-1,3-oxazole

C16H21NO4 — CID 6445992

IUPAC4,4-dimethyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-5H-1,3-oxazole
SMILESCOc1cc(/C=C/C2=NC(C)(C)CO2)cc(OC)c1OC
InChIInChI=1S/C16H21NO4/c1-16(2)10-21-14(17-16)7-6-11-8-12(18-3)15(20-5)13(9-11)19-4/h6-9H,10H2,1-5H3/b7-6+
InChIKeyQJPDNRMPEKONFW-VOTSOKGWSA-N
MW291.35 g/mol
LogP2.93
Rot. Bonds5

About 4,4-dimethyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-5H-1,3-oxazole

4,4-dimethyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-5H-1,3-oxazole (PubChem CID 6445992) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-5H-1,3-oxazole
PubChem CID6445992
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name4,4-dimethyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-5H-1,3-oxazole
SMILESCOc1cc(/C=C/C2=NC(C)(C)CO2)cc(OC)c1OC
InChIInChI=1S/C16H21NO4/c1-16(2)10-21-14(17-16)7-6-11-8-12(18-3)15(20-5)13(9-11)19-4/h6-9H,10H2,1-5H3/b7-6+
InChIKeyQJPDNRMPEKONFW-VOTSOKGWSA-N
XLogP2.93
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 5149963
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CID 2779168
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CID 1712853
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CID 5851118
CID 5851118
CID 293439
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CID 1511079
CID 1511079
CID 9859542
CID 9859542
CID 6372484
CID 6372484
CID 6445989
CID 6445989
CID 6445997
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CID 6446000
CID 6446000

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-5H-1,3-oxazole (CID 6445992) is 4,4-dimethyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-5H-1,3-oxazole is COc1cc(/C=C/C2=NC(C)(C)CO2)cc(OC)c1OC.
What is the InChIKey of 4,4-dimethyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-5H-1,3-oxazole?
The InChIKey is QJPDNRMPEKONFW-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H21NO4/c1-16(2)10-21-14(17-16)7-6-11-8-12(18-3)15(20-5)13(9-11)19-4/h6-9H,10H2,1-5H3/b7-6+.
What are the key properties of 4,4-dimethyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-5H-1,3-oxazole?
4,4-dimethyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-5H-1,3-oxazole has a molecular weight of 291.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-5H-1,3-oxazole is sourced from PubChem (CID 6445992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).