N-[[4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-1,2-oxazol-3-yl]phenyl]methyl]acetamide

C20H20N2O5 — CID 142009064

IUPACN-[[4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-1,2-oxazol-3-yl]phenyl]methyl]acetamide
SMILESCOc1cc(-c2cc(-c3ccc(CNC(C)=O)cc3)no2)cc(OC)c1O
InChIInChI=1S/C20H20N2O5/c1-12(23)21-11-13-4-6-14(7-5-13)16-10-17(27-22-16)15-8-18(25-2)20(24)19(9-15)26-3/h4-10,24H,11H2,1-3H3,(H,21,23)
InChIKeyRNCPZXPDMPCBIE-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.37
Rot. Bonds6

About N-[[4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-1,2-oxazol-3-yl]phenyl]methyl]acetamide

N-[[4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-1,2-oxazol-3-yl]phenyl]methyl]acetamide (PubChem CID 142009064) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[[4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-1,2-oxazol-3-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-1,2-oxazol-3-yl]phenyl]methyl]acetamide
PubChem CID142009064
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC NameN-[[4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-1,2-oxazol-3-yl]phenyl]methyl]acetamide
SMILESCOc1cc(-c2cc(-c3ccc(CNC(C)=O)cc3)no2)cc(OC)c1O
InChIInChI=1S/C20H20N2O5/c1-12(23)21-11-13-4-6-14(7-5-13)16-10-17(27-22-16)15-8-18(25-2)20(24)19(9-15)26-3/h4-10,24H,11H2,1-3H3,(H,21,23)
InChIKeyRNCPZXPDMPCBIE-UHFFFAOYSA-N
XLogP3.37
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3238946
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91309550
3-(4-iodophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 90718317
2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol
CID 11337247
N-[(4-chlorophenyl)methyl]-1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropane-1-carboxamide
CID 90504048
4-[5-(4-ethylphenyl)-1,2-oxazol-3-yl]phenol
CID 137045534
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261874
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)-1,2-oxazole-5-carboxamide
CID 22548193
N-[[4-(3,4-dimethylphenyl)phenyl]methyl]acetamide
CID 68720830
N-[[4-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 108782677

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-1,2-oxazol-3-yl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-1,2-oxazol-3-yl]phenyl]methyl]acetamide (CID 142009064) is N-[[4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-1,2-oxazol-3-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-1,2-oxazol-3-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-1,2-oxazol-3-yl]phenyl]methyl]acetamide is COc1cc(-c2cc(-c3ccc(CNC(C)=O)cc3)no2)cc(OC)c1O.
What is the InChIKey of N-[[4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-1,2-oxazol-3-yl]phenyl]methyl]acetamide?
The InChIKey is RNCPZXPDMPCBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-12(23)21-11-13-4-6-14(7-5-13)16-10-17(27-22-16)15-8-18(25-2)20(24)19(9-15)26-3/h4-10,24H,11H2,1-3H3,(H,21,23).
What are the key properties of N-[[4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-1,2-oxazol-3-yl]phenyl]methyl]acetamide?
N-[[4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-1,2-oxazol-3-yl]phenyl]methyl]acetamide has a molecular weight of 368.39 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-1,2-oxazol-3-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 142009064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).