N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C22H31N3O4 — CID 93206878

IUPACN-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCCN(CC)c1onc(-c2ccccc2)c1CN(C[C@@H]1CCCO1)C(=O)COC
InChIInChI=1S/C22H31N3O4/c1-4-24(5-2)22-19(21(23-29-22)17-10-7-6-8-11-17)15-25(20(26)16-27-3)14-18-12-9-13-28-18/h6-8,10-11,18H,4-5,9,12-16H2,1-3H3/t18-/m0/s1
InChIKeyGXBFJJQJIHSZEF-SFHVURJKSA-N
MW401.51 g/mol
LogP3.34
Rot. Bonds10

About N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide

N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 93206878) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID93206878
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC NameN-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCCN(CC)c1onc(-c2ccccc2)c1CN(C[C@@H]1CCCO1)C(=O)COC
InChIInChI=1S/C22H31N3O4/c1-4-24(5-2)22-19(21(23-29-22)17-10-7-6-8-11-17)15-25(20(26)16-27-3)14-18-12-9-13-28-18/h6-8,10-11,18H,4-5,9,12-16H2,1-3H3/t18-/m0/s1
InChIKeyGXBFJJQJIHSZEF-SFHVURJKSA-N
XLogP3.34
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide 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

N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93206867
N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93206888
N-[(1-methyl-5-phenoxy-3-phenylpyrazol-4-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 93136118
N-[[5-(diethylamino)-3-(4-fluorophenyl)-1,2-oxazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide
CID 24719676
N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 46023691
N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 24719645
N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N-(oxolan-2-ylmethyl)acetamide
CID 24712506
4-chloro-N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46018918
N-[[(2S)-oxolan-2-yl]methyl]-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
CID 93207861
N-[[5-(2-fluorophenoxy)-1-phenyl-3-propan-2-ylpyrazol-4-yl]methyl]-2-methoxy-N-(oxolan-2-ylmethyl)acetamide
CID 51069250
N-[[5-(2-methoxyphenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93136423
N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 42840156

Frequently Asked Questions

What is the IUPAC name of N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 93206878) is N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide is CCN(CC)c1onc(-c2ccccc2)c1CN(C[C@@H]1CCCO1)C(=O)COC.
What is the InChIKey of N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is GXBFJJQJIHSZEF-SFHVURJKSA-N. The full InChI is InChI=1S/C22H31N3O4/c1-4-24(5-2)22-19(21(23-29-22)17-10-7-6-8-11-17)15-25(20(26)16-27-3)14-18-12-9-13-28-18/h6-8,10-11,18H,4-5,9,12-16H2,1-3H3/t18-/m0/s1.
What are the key properties of N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 401.51 g/mol, XLogP of 3.34, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(diethylamino)-3-phenyl-1,2-oxazol-4-yl]methyl]-2-methoxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 93206878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).