5-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide

C18H21N3O5 — CID 53110228

IUPAC5-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)Nc1ccc(OCc2cc(C(=O)NCC3CCCO3)no2)cc1
InChIInChI=1S/C18H21N3O5/c1-12(22)20-13-4-6-14(7-5-13)25-11-16-9-17(21-26-16)18(23)19-10-15-3-2-8-24-15/h4-7,9,15H,2-3,8,10-11H2,1H3,(H,19,23)(H,20,22)
InChIKeyUCSIVWRUXHJUKE-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.12
Rot. Bonds7

About 5-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide

5-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 53110228) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 5-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID53110228
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name5-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)Nc1ccc(OCc2cc(C(=O)NCC3CCCO3)no2)cc1
InChIInChI=1S/C18H21N3O5/c1-12(22)20-13-4-6-14(7-5-13)25-11-16-9-17(21-26-16)18(23)19-10-15-3-2-8-24-15/h4-7,9,15H,2-3,8,10-11H2,1H3,(H,19,23)(H,20,22)
InChIKeyUCSIVWRUXHJUKE-UHFFFAOYSA-N
XLogP2.12
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[4-(2,2-dimethylpropanoylamino)phenoxy]methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 53110215
5-[[4-[(2-fluorobenzoyl)amino]phenoxy]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95086436
3-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42650943
N-(cyclohexylmethyl)-5-[[4-(pentanoylamino)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 53110155
N-(oxolan-2-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90326032
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089
4-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206845
N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
2-[4-[(3,5-difluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46065976
5-[(4-ethoxyphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 756937
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
5-[(4-bromophenoxy)methyl]-N-(oxan-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 118536681

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 53110228) is 5-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide is CC(=O)Nc1ccc(OCc2cc(C(=O)NCC3CCCO3)no2)cc1.
What is the InChIKey of 5-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is UCSIVWRUXHJUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-12(22)20-13-4-6-14(7-5-13)25-11-16-9-17(21-26-16)18(23)19-10-15-3-2-8-24-15/h4-7,9,15H,2-3,8,10-11H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 5-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide?
5-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 53110228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).