3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide

C19H25N3O3 — CID 30867383

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)CCc2c(C)noc2C)c(C)c1
InChIInChI=1S/C19H25N3O3/c1-11-8-12(2)19(13(3)9-11)21-18(24)10-20-17(23)7-6-16-14(4)22-25-15(16)5/h8-9H,6-7,10H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyQDTLFEKVQQMEOE-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.90
Rot. Bonds6

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide (PubChem CID 30867383) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
PubChem CID30867383
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)CCc2c(C)noc2C)c(C)c1
InChIInChI=1S/C19H25N3O3/c1-11-8-12(2)19(13(3)9-11)21-18(24)10-20-17(23)7-6-16-14(4)22-25-15(16)5/h8-9H,6-7,10H2,1-5H3,(H,20,23)(H,21,24)
InChIKeyQDTLFEKVQQMEOE-UHFFFAOYSA-N
XLogP2.90
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide with MolForge

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 86908068
N-(2,6-diethylphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 30843324
N-(2,6-dichlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110651196
3-amino-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride
CID 119269153
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 8623625
N-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110833015
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 102914904
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 86985319
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(methylamino)propyl]propanamide
CID 120828813
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2-methylpropyl)propanamide
CID 65031474
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide
CID 17456120
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
CID 110908981

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide (CID 30867383) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide is Cc1cc(C)c(NC(=O)CNC(=O)CCc2c(C)noc2C)c(C)c1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide?
The InChIKey is QDTLFEKVQQMEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-11-8-12(2)19(13(3)9-11)21-18(24)10-20-17(23)7-6-16-14(4)22-25-15(16)5/h8-9H,6-7,10H2,1-5H3,(H,20,23)(H,21,24).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide has a molecular weight of 343.43 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide is sourced from PubChem (CID 30867383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).