3-[acetyl(furan-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C14H17N3O4 — CID 113118178

IUPAC3-[acetyl(furan-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C)on1)Cc1ccco1
InChIInChI=1S/C14H17N3O4/c1-10-8-13(16-21-10)15-14(19)5-6-17(11(2)18)9-12-4-3-7-20-12/h3-4,7-8H,5-6,9H2,1-2H3,(H,15,16,19)
InChIKeyZUBVNZHLTVIKNC-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.95
Rot. Bonds6

About 3-[acetyl(furan-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-[acetyl(furan-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 113118178) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-[acetyl(furan-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[acetyl(furan-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID113118178
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name3-[acetyl(furan-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C)on1)Cc1ccco1
InChIInChI=1S/C14H17N3O4/c1-10-8-13(16-21-10)15-14(19)5-6-17(11(2)18)9-12-4-3-7-20-12/h3-4,7-8H,5-6,9H2,1-2H3,(H,15,16,19)
InChIKeyZUBVNZHLTVIKNC-UHFFFAOYSA-N
XLogP1.95
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[acetyl(furan-2-ylmethyl)amino]-N-(3,4-dimethylphenyl)propanamide
CID 113118081
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113118715
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113119233
3-[acetyl(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113116105
3-[acetyl(furan-2-ylmethyl)amino]-N-[4-(diethylamino)phenyl]propanamide
CID 113118135
3-[acetyl(prop-2-enyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113115709
1-(furan-2-ylmethyl)-3-(5-methyl-1,2-oxazol-3-yl)-1-(thiophen-2-ylmethyl)urea
CID 24528932
2-(furan-2-ylmethylamino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9466798
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113121052
3-[acetyl(3-methoxypropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113117245
2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 31470349
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113135846

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(furan-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-[acetyl(furan-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 113118178) is 3-[acetyl(furan-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-[acetyl(furan-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-[acetyl(furan-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is CC(=O)N(CCC(=O)Nc1cc(C)on1)Cc1ccco1.
What is the InChIKey of 3-[acetyl(furan-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is ZUBVNZHLTVIKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-10-8-13(16-21-10)15-14(19)5-6-17(11(2)18)9-12-4-3-7-20-12/h3-4,7-8H,5-6,9H2,1-2H3,(H,15,16,19).
What are the key properties of 3-[acetyl(furan-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-[acetyl(furan-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 291.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(furan-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 113118178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).