N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide

C20H19ClN2O5 — CID 16866743

IUPACN-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)cc(OC)c1OC
InChIInChI=1S/C20H19ClN2O5/c1-25-17-8-13(9-18(26-2)19(17)27-3)20(24)22-11-15-10-16(28-23-15)12-4-6-14(21)7-5-12/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyGARURWCSAGIXHB-UHFFFAOYSA-N
MW402.83 g/mol
LogP3.95
Rot. Bonds7

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

N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide (PubChem CID 16866743) has the molecular formula C20H19ClN2O5 and a molecular weight of 402.83 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide
PubChem CID16866743
Molecular FormulaC20H19ClN2O5
Molecular Weight402.83 g/mol
Exact Mass402.10
IUPAC NameN-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)cc(OC)c1OC
InChIInChI=1S/C20H19ClN2O5/c1-25-17-8-13(9-18(26-2)19(17)27-3)20(24)22-11-15-10-16(28-23-15)12-4-6-14(21)7-5-12/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyGARURWCSAGIXHB-UHFFFAOYSA-N
XLogP3.95
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.83
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16867498
3,4,5-trimethoxy-N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
CID 16867378
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2,3-dimethoxybenzamide
CID 16866739
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,5-dimethylbenzamide
CID 16866727
3,4,5-trimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728397
4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866729
4-bromo-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866753
4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866496
2-(4-chlorophenyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16866804
2-(4-chlorophenoxy)-N-[[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867291
3,4,5-trimethoxy-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 23613096
N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]-4-methoxybenzamide
CID 110314743

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide (CID 16866743) is N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)cc(OC)c1OC.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide?
The InChIKey is GARURWCSAGIXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O5/c1-25-17-8-13(9-18(26-2)19(17)27-3)20(24)22-11-15-10-16(28-23-15)12-4-6-14(21)7-5-12/h4-10H,11H2,1-3H3,(H,22,24).
What are the key properties of N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide?
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide has a molecular weight of 402.83 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 16866743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).