3,5-dichloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-methoxybenzamide

C19H16Cl2N2O5 — CID 35338112

IUPAC3,5-dichloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-methoxybenzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3cc(Cl)c(OC)c(Cl)c3)on2)cc1OC
InChIInChI=1S/C19H16Cl2N2O5/c1-25-15-5-4-10(8-16(15)26-2)14-9-17(28-23-14)22-19(24)11-6-12(20)18(27-3)13(21)7-11/h4-9H,1-3H3,(H,22,24)
InChIKeyGBJJXJYNRZBOBO-UHFFFAOYSA-N
MW423.25 g/mol
LogP4.93
Rot. Bonds6

About 3,5-dichloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-methoxybenzamide

3,5-dichloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-methoxybenzamide (PubChem CID 35338112) has the molecular formula C19H16Cl2N2O5 and a molecular weight of 423.25 g/mol. Its IUPAC name is 3,5-dichloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-methoxybenzamide
PubChem CID35338112
Molecular FormulaC19H16Cl2N2O5
Molecular Weight423.25 g/mol
Exact Mass422.04
IUPAC Name3,5-dichloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-methoxybenzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3cc(Cl)c(OC)c(Cl)c3)on2)cc1OC
InChIInChI=1S/C19H16Cl2N2O5/c1-25-15-5-4-10(8-16(15)26-2)14-9-17(28-23-14)22-19(24)11-6-12(20)18(27-3)13(21)7-11/h4-9H,1-3H3,(H,22,24)
InChIKeyGBJJXJYNRZBOBO-UHFFFAOYSA-N
XLogP4.93
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.25
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 4009017
6-chloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-7-methyl-4-oxochromene-2-carboxamide
CID 35337898
N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-oxochromene-2-carboxamide
CID 35337837
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
CID 112503065
methyl 2-[4-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]carbamoyl]-2-methoxyphenoxy]acetate
CID 56570036
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5005400
N-(5-amino-2-methoxyphenyl)-3,5-dichloro-4-methoxybenzamide
CID 50883336
3,5-dimethoxy-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)benzamide
CID 53143045
3-chloro-4,5-dimethoxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30182001
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 56544924
N-[4-(carbamoylamino)phenyl]-3,5-dichloro-4-methoxybenzamide
CID 33153788

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-methoxybenzamide (CID 35338112) is 3,5-dichloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-methoxybenzamide is COc1ccc(-c2cc(NC(=O)c3cc(Cl)c(OC)c(Cl)c3)on2)cc1OC.
What is the InChIKey of 3,5-dichloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-methoxybenzamide?
The InChIKey is GBJJXJYNRZBOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O5/c1-25-15-5-4-10(8-16(15)26-2)14-9-17(28-23-14)22-19(24)11-6-12(20)18(27-3)13(21)7-11/h4-9H,1-3H3,(H,22,24).
What are the key properties of 3,5-dichloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-methoxybenzamide?
3,5-dichloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-methoxybenzamide has a molecular weight of 423.25 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-methoxybenzamide is sourced from PubChem (CID 35338112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).