N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3,4,5-trimethoxybenzamide

C17H22N2O5 — CID 110718742

IUPACN-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCc2oc(C)nc2C)cc(OC)c1OC
InChIInChI=1S/C17H22N2O5/c1-10-13(24-11(2)19-10)6-7-18-17(20)12-8-14(21-3)16(23-5)15(9-12)22-4/h8-9H,6-7H2,1-5H3,(H,18,20)
InChIKeyYVNCYQOCNMQDER-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.29
Rot. Bonds7

About N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3,4,5-trimethoxybenzamide

N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3,4,5-trimethoxybenzamide (PubChem CID 110718742) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3,4,5-trimethoxybenzamide
PubChem CID110718742
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC NameN-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCc2oc(C)nc2C)cc(OC)c1OC
InChIInChI=1S/C17H22N2O5/c1-10-13(24-11(2)19-10)6-7-18-17(20)12-8-14(21-3)16(23-5)15(9-12)22-4/h8-9H,6-7H2,1-5H3,(H,18,20)
InChIKeyYVNCYQOCNMQDER-UHFFFAOYSA-N
XLogP2.29
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,6-dimethoxybenzamide
CID 110718737
methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
3,4-dimethoxy-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide
CID 110671401
3,4,5-trimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide
CID 110720007
N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 110605237
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 92659644
N-[2-(4-fluoro-3-methylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 110787367
4-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]benzenesulfonyl chloride
CID 154181600
3-(4-methylphenyl)-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083479
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
N-[2-(2-ethylbutanoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108538157
N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
CID 5235271

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3,4,5-trimethoxybenzamide (CID 110718742) is N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCCc2oc(C)nc2C)cc(OC)c1OC.
What is the InChIKey of N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is YVNCYQOCNMQDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-10-13(24-11(2)19-10)6-7-18-17(20)12-8-14(21-3)16(23-5)15(9-12)22-4/h8-9H,6-7H2,1-5H3,(H,18,20).
What are the key properties of N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3,4,5-trimethoxybenzamide?
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 334.37 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 110718742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).