N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-methylbenzamide

C20H20N2O3 — CID 110314788

IUPACN-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-methylbenzamide
SMILESCOc1cccc(-c2cc(CCNC(=O)c3cccc(C)c3)no2)c1
InChIInChI=1S/C20H20N2O3/c1-14-5-3-7-16(11-14)20(23)21-10-9-17-13-19(25-22-17)15-6-4-8-18(12-15)24-2/h3-8,11-13H,9-10H2,1-2H3,(H,21,23)
InChIKeyVJPLTFFBSRAYRJ-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.63
Rot. Bonds6

About N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-methylbenzamide

N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-methylbenzamide (PubChem CID 110314788) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-methylbenzamide
PubChem CID110314788
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-methylbenzamide
SMILESCOc1cccc(-c2cc(CCNC(=O)c3cccc(C)c3)no2)c1
InChIInChI=1S/C20H20N2O3/c1-14-5-3-7-16(11-14)20(23)21-10-9-17-13-19(25-22-17)15-6-4-8-18(12-15)24-2/h3-8,11-13H,9-10H2,1-2H3,(H,21,23)
InChIKeyVJPLTFFBSRAYRJ-UHFFFAOYSA-N
XLogP3.63
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]benzamide
CID 110314795
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-phenylacetamide
CID 110314800
ethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate
CID 110314824
1,1-diethyl-3-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]urea
CID 110314830
4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866986
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-phenoxypropanamide
CID 110314807
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]morpholine-4-carboxamide
CID 110314831
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313446
3-fluoro-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 110317449
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide
CID 16866858
N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]-4-methoxybenzamide
CID 110314743
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-4-pyridin-3-ylbutanamide
CID 110634060

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-methylbenzamide (CID 110314788) is N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-methylbenzamide is COc1cccc(-c2cc(CCNC(=O)c3cccc(C)c3)no2)c1.
What is the InChIKey of N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-methylbenzamide?
The InChIKey is VJPLTFFBSRAYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-14-5-3-7-16(11-14)20(23)21-10-9-17-13-19(25-22-17)15-6-4-8-18(12-15)24-2/h3-8,11-13H,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-methylbenzamide?
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-methylbenzamide has a molecular weight of 336.39 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-methylbenzamide is sourced from PubChem (CID 110314788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).