2-chloro-N-propan-2-yl-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide

C23H25ClN2O5 — CID 51070402

IUPAC2-chloro-N-propan-2-yl-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESCOc1cc(-c2cc(CN(C(=O)c3ccccc3Cl)C(C)C)no2)cc(OC)c1OC
InChIInChI=1S/C23H25ClN2O5/c1-14(2)26(23(27)17-8-6-7-9-18(17)24)13-16-12-19(31-25-16)15-10-20(28-3)22(30-5)21(11-15)29-4/h6-12,14H,13H2,1-5H3
InChIKeyRLZNVMSQERHMEJ-UHFFFAOYSA-N
MW444.92 g/mol
LogP5.07
Rot. Bonds8

About 2-chloro-N-propan-2-yl-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide

2-chloro-N-propan-2-yl-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide (PubChem CID 51070402) has the molecular formula C23H25ClN2O5 and a molecular weight of 444.92 g/mol. Its IUPAC name is 2-chloro-N-propan-2-yl-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-propan-2-yl-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
PubChem CID51070402
Molecular FormulaC23H25ClN2O5
Molecular Weight444.92 g/mol
Exact Mass444.15
IUPAC Name2-chloro-N-propan-2-yl-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
SMILESCOc1cc(-c2cc(CN(C(=O)c3ccccc3Cl)C(C)C)no2)cc(OC)c1OC
InChIInChI=1S/C23H25ClN2O5/c1-14(2)26(23(27)17-8-6-7-9-18(17)24)13-16-12-19(31-25-16)15-10-20(28-3)22(30-5)21(11-15)29-4/h6-12,14H,13H2,1-5H3
InChIKeyRLZNVMSQERHMEJ-UHFFFAOYSA-N
XLogP5.07
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.92
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
CID 6494665
N-methyl-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070569
2-fluoro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propan-2-ylbenzamide
CID 46111583
[5-[[(2-chlorobenzoyl)-propan-2-ylamino]methyl]-2-methoxyphenyl] methanesulfonate
CID 5010094
2-chloro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095840
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070546
N-benzyl-2-chloro-N-[[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070066
2-[(5-phenyl-1,2-oxazol-3-yl)methyl-propan-2-ylamino]acetic acid
CID 60840315
N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzamide
CID 51070040
2,3-dimethoxy-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
CID 2980615
2,3-dimethoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylbenzamide
CID 3164402
3,5-dimethoxy-N-[[(2R)-oxolan-2-yl]methyl]-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 93019656

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propan-2-yl-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The IUPAC name of 2-chloro-N-propan-2-yl-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide (CID 51070402) is 2-chloro-N-propan-2-yl-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-propan-2-yl-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-propan-2-yl-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide is COc1cc(-c2cc(CN(C(=O)c3ccccc3Cl)C(C)C)no2)cc(OC)c1OC.
What is the InChIKey of 2-chloro-N-propan-2-yl-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
The InChIKey is RLZNVMSQERHMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O5/c1-14(2)26(23(27)17-8-6-7-9-18(17)24)13-16-12-19(31-25-16)15-10-20(28-3)22(30-5)21(11-15)29-4/h6-12,14H,13H2,1-5H3.
What are the key properties of 2-chloro-N-propan-2-yl-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide?
2-chloro-N-propan-2-yl-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide has a molecular weight of 444.92 g/mol, XLogP of 5.07, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propan-2-yl-N-[[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide is sourced from PubChem (CID 51070402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).