N-[[4-[acetyl(methyl)amino]phenyl]methyl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide

C19H19N3O4 — CID 166379319

IUPACN-[[4-[acetyl(methyl)amino]phenyl]methyl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide
SMILESCC(=O)N(C)c1ccc(CNC(=O)c2cnoc2-c2ccc(C)o2)cc1
InChIInChI=1S/C19H19N3O4/c1-12-4-9-17(25-12)18-16(11-21-26-18)19(24)20-10-14-5-7-15(8-6-14)22(3)13(2)23/h4-9,11H,10H2,1-3H3,(H,20,24)
InChIKeyDUFKLORUFRKTHX-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.16
Rot. Bonds5

About N-[[4-[acetyl(methyl)amino]phenyl]methyl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide

N-[[4-[acetyl(methyl)amino]phenyl]methyl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide (PubChem CID 166379319) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[[4-[acetyl(methyl)amino]phenyl]methyl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[acetyl(methyl)amino]phenyl]methyl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide
PubChem CID166379319
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[[4-[acetyl(methyl)amino]phenyl]methyl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide
SMILESCC(=O)N(C)c1ccc(CNC(=O)c2cnoc2-c2ccc(C)o2)cc1
InChIInChI=1S/C19H19N3O4/c1-12-4-9-17(25-12)18-16(11-21-26-18)19(24)20-10-14-5-7-15(8-6-14)22(3)13(2)23/h4-9,11H,10H2,1-3H3,(H,20,24)
InChIKeyDUFKLORUFRKTHX-UHFFFAOYSA-N
XLogP3.16
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[acetyl(methyl)amino]phenyl]-5-methylfuran-2-carboxamide
CID 17173460
5-(3,4-difluorophenyl)-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 110647993
N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide
CID 99798109
N-[3-[4-(dimethylamino)phenyl]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 71806116
2-[4-[acetyl(methyl)amino]phenyl]acetic acid
CID 20670865
5-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 61241953
5-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81098454
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 3827367
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682584
N-[4-[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]phenyl]-N-methylacetamide
CID 86862691
5-methyl-N-(thiophen-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 71806156
5-(3,4-difluorophenyl)-N-[(3-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 110647969

Frequently Asked Questions

What is the IUPAC name of N-[[4-[acetyl(methyl)amino]phenyl]methyl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[[4-[acetyl(methyl)amino]phenyl]methyl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide (CID 166379319) is N-[[4-[acetyl(methyl)amino]phenyl]methyl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[4-[acetyl(methyl)amino]phenyl]methyl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[4-[acetyl(methyl)amino]phenyl]methyl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide is CC(=O)N(C)c1ccc(CNC(=O)c2cnoc2-c2ccc(C)o2)cc1.
What is the InChIKey of N-[[4-[acetyl(methyl)amino]phenyl]methyl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is DUFKLORUFRKTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12-4-9-17(25-12)18-16(11-21-26-18)19(24)20-10-14-5-7-15(8-6-14)22(3)13(2)23/h4-9,11H,10H2,1-3H3,(H,20,24).
What are the key properties of N-[[4-[acetyl(methyl)amino]phenyl]methyl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide?
N-[[4-[acetyl(methyl)amino]phenyl]methyl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[acetyl(methyl)amino]phenyl]methyl]-5-(5-methylfuran-2-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 166379319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).