N-methyl-N-[4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]propanamide

C22H22N2O3 — CID 167590752

IUPACN-methyl-N-[4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]propanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3cc(C)no3)cc2)cc1
InChIInChI=1S/C22H22N2O3/c1-4-22(26)24(3)19-11-9-17(10-12-19)16-5-7-18(8-6-16)21(25)14-20-13-15(2)23-27-20/h5-13H,4,14H2,1-3H3
InChIKeyIKBYURXGUKYUPU-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.45
Rot. Bonds6

About N-methyl-N-[4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]propanamide

N-methyl-N-[4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]propanamide (PubChem CID 167590752) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-methyl-N-[4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]propanamide.

Molecular Properties

Compound NameN-methyl-N-[4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]propanamide
PubChem CID167590752
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-methyl-N-[4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]propanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3cc(C)no3)cc2)cc1
InChIInChI=1S/C22H22N2O3/c1-4-22(26)24(3)19-11-9-17(10-12-19)16-5-7-18(8-6-16)21(25)14-20-13-15(2)23-27-20/h5-13H,4,14H2,1-3H3
InChIKeyIKBYURXGUKYUPU-UHFFFAOYSA-N
XLogP4.45
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-fluoro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167538672
1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 15239218
N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide
CID 167683267
N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide
CID 167595216
4-[4-(cyclopropanecarbonyl)phenyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 118792250
ethane;ethyl 4-[methyl(propanoyl)amino]benzoate
CID 143419457
4-(dimethylamino)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537724
N-[(6-methyl-2,3-dihydropyridin-5-yl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide
CID 153360798
N-[4-[2-hydroxy-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167711632
N-methyl-N-pyridin-4-ylpropanamide
CID 59710602
N-methyl-N-[3-methyl-4-[5-(2-pyridin-4-ylacetyl)-2-pyridinyl]phenyl]propanamide
CID 167605649
4-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoic acid
CID 54885490

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]propanamide?
The IUPAC name of N-methyl-N-[4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]propanamide (CID 167590752) is N-methyl-N-[4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]propanamide.
What is the SMILES notation for N-methyl-N-[4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]propanamide?
The canonical SMILES for N-methyl-N-[4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]propanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3cc(C)no3)cc2)cc1.
What is the InChIKey of N-methyl-N-[4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]propanamide?
The InChIKey is IKBYURXGUKYUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-4-22(26)24(3)19-11-9-17(10-12-19)16-5-7-18(8-6-16)21(25)14-20-13-15(2)23-27-20/h5-13H,4,14H2,1-3H3.
What are the key properties of N-methyl-N-[4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]propanamide?
N-methyl-N-[4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]propanamide has a molecular weight of 362.43 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]propanamide is sourced from PubChem (CID 167590752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).