N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-2-(4-methoxyphenyl)acetamide

C20H23N3O3 — CID 67151540

IUPACN-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(CCC3COC(N)=N3)cc2)cc1
InChIInChI=1S/C20H23N3O3/c1-25-18-10-5-15(6-11-18)12-19(24)22-16-7-2-14(3-8-16)4-9-17-13-26-20(21)23-17/h2-3,5-8,10-11,17H,4,9,12-13H2,1H3,(H2,21,23)(H,22,24)
InChIKeyKZHJZLFZQMNDRX-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.52
Rot. Bonds7

About N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-2-(4-methoxyphenyl)acetamide

N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 67151540) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-2-(4-methoxyphenyl)acetamide
PubChem CID67151540
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(CCC3COC(N)=N3)cc2)cc1
InChIInChI=1S/C20H23N3O3/c1-25-18-10-5-15(6-11-18)12-19(24)22-16-7-2-14(3-8-16)4-9-17-13-26-20(21)23-17/h2-3,5-8,10-11,17H,4,9,12-13H2,1H3,(H2,21,23)(H,22,24)
InChIKeyKZHJZLFZQMNDRX-UHFFFAOYSA-N
XLogP2.52
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-aminoethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 28754535
N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 114299189
N-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]butanamide
CID 17202461
N-[4-(cyclopropylamino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112979974
N-(4-methoxyphenyl)-2-pyridin-4-ylacetamide
CID 110697333
2-(4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 4228325
2-(4-methoxyphenyl)-N-(4-methylphenyl)acetamide;methyl 2-(4-methoxyphenyl)acetate
CID 161099806
2-(4-methoxyphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]acetamide
CID 112990366
N-[4-(cycloheptylamino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112985000
2-(4-methoxyphenyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]acetamide
CID 110314406
2-[4-(benzylamino)phenyl]-N-(4-methoxyphenyl)acetamide
CID 46045417
N-[4-(2-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)acetamide
CID 27901681

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-2-(4-methoxyphenyl)acetamide (CID 67151540) is N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(CCC3COC(N)=N3)cc2)cc1.
What is the InChIKey of N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is KZHJZLFZQMNDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-25-18-10-5-15(6-11-18)12-19(24)22-16-7-2-14(3-8-16)4-9-17-13-26-20(21)23-17/h2-3,5-8,10-11,17H,4,9,12-13H2,1H3,(H2,21,23)(H,22,24).
What are the key properties of N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-2-(4-methoxyphenyl)acetamide?
N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 353.42 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 67151540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).