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

C22H23N3O4 — CID 31927716

IUPACN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CCc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C22H23N3O4/c1-25(15-20(26)24-17-9-6-10-18(13-17)28-2)22(27)12-11-21-23-14-19(29-21)16-7-4-3-5-8-16/h3-10,13-14H,11-12,15H2,1-2H3,(H,24,26)
InChIKeyNDNXAUUAQYOWBF-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.38
Rot. Bonds8

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

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 31927716) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID31927716
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CCc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C22H23N3O4/c1-25(15-20(26)24-17-9-6-10-18(13-17)28-2)22(27)12-11-21-23-14-19(29-21)16-7-4-3-5-8-16/h3-10,13-14H,11-12,15H2,1-2H3,(H,24,26)
InChIKeyNDNXAUUAQYOWBF-UHFFFAOYSA-N
XLogP3.38
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-anilino-2-oxoethyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55637742
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)propanamide
CID 17437982
1-(3-methoxyphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 86924588
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18137364
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylpropanamide
CID 60549809
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 55687069
N-(3-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590292
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
3-(5-phenyl-1,3-oxazol-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 16590579
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 7936435
N-(3,5-dimethoxyphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422470
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 55771096

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 31927716) is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is COc1cccc(NC(=O)CN(C)C(=O)CCc2ncc(-c3ccccc3)o2)c1.
What is the InChIKey of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is NDNXAUUAQYOWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-25(15-20(26)24-17-9-6-10-18(13-17)28-2)22(27)12-11-21-23-14-19(29-21)16-7-4-3-5-8-16/h3-10,13-14H,11-12,15H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 393.44 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 31927716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).