2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide

C19H23N3O4 — CID 118753970

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
SMILESCOc1ccc(CC2=NOC(CNC(=O)Cc3c(C)noc3C)C2)cc1
InChIInChI=1S/C19H23N3O4/c1-12-18(13(2)25-21-12)10-19(23)20-11-17-9-15(22-26-17)8-14-4-6-16(24-3)7-5-14/h4-7,17H,8-11H2,1-3H3,(H,20,23)
InChIKeyKFZWQMVVIQVIBB-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.35
Rot. Bonds7

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide (PubChem CID 118753970) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
PubChem CID118753970
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
SMILESCOc1ccc(CC2=NOC(CNC(=O)Cc3c(C)noc3C)C2)cc1
InChIInChI=1S/C19H23N3O4/c1-12-18(13(2)25-21-12)10-19(23)20-11-17-9-15(22-26-17)8-14-4-6-16(24-3)7-5-14/h4-7,17H,8-11H2,1-3H3,(H,20,23)
InChIKeyKFZWQMVVIQVIBB-UHFFFAOYSA-N
XLogP2.35
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylbenzamide
CID 45175874
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 30272063
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 99873792
N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 40812290
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 39236485
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 47862506
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18132053
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43027694
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 47041902
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[5-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 56854792
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 31325172
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide
CID 91631115

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide (CID 118753970) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide is COc1ccc(CC2=NOC(CNC(=O)Cc3c(C)noc3C)C2)cc1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The InChIKey is KFZWQMVVIQVIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12-18(13(2)25-21-12)10-19(23)20-11-17-9-15(22-26-17)8-14-4-6-16(24-3)7-5-14/h4-7,17H,8-11H2,1-3H3,(H,20,23).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide is sourced from PubChem (CID 118753970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).