N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-1,3-oxazole-4-carboxamide

C19H18N4O6 — CID 72717072

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-1,3-oxazole-4-carboxamide
SMILESCc1noc(C)c1CC(=O)Nc1nc(C(=O)NCc2ccc3c(c2)OCO3)co1
InChIInChI=1S/C19H18N4O6/c1-10-13(11(2)29-23-10)6-17(24)22-19-21-14(8-26-19)18(25)20-7-12-3-4-15-16(5-12)28-9-27-15/h3-5,8H,6-7,9H2,1-2H3,(H,20,25)(H,21,22,24)
InChIKeyMOMDYBYPIMVEIO-UHFFFAOYSA-N
MW398.38 g/mol
LogP2.12
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-1,3-oxazole-4-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-1,3-oxazole-4-carboxamide (PubChem CID 72717072) has the molecular formula C19H18N4O6 and a molecular weight of 398.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-1,3-oxazole-4-carboxamide
PubChem CID72717072
Molecular FormulaC19H18N4O6
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-1,3-oxazole-4-carboxamide
SMILESCc1noc(C)c1CC(=O)Nc1nc(C(=O)NCc2ccc3c(c2)OCO3)co1
InChIInChI=1S/C19H18N4O6/c1-10-13(11(2)29-23-10)6-17(24)22-19-21-14(8-26-19)18(25)20-7-12-3-4-15-16(5-12)28-9-27-15/h3-5,8H,6-7,9H2,1-2H3,(H,20,25)(H,21,22,24)
InChIKeyMOMDYBYPIMVEIO-UHFFFAOYSA-N
XLogP2.12
TPSA128.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzamide
CID 9113968
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 715476
1-(1,3-benzodioxol-5-ylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
CID 2738946
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691869
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 18132174
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2-oxazole-3-carboxamide
CID 110851669
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093805
N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethylfuran-2-carboxamide
CID 110697623
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110410345
2-(2-aminophenyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-oxazole-4-carboxamide
CID 3597833
[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate
CID 42916006
2-(1,3-benzodioxol-5-yloxymethyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 25395754

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-1,3-oxazole-4-carboxamide (CID 72717072) is N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-1,3-oxazole-4-carboxamide is Cc1noc(C)c1CC(=O)Nc1nc(C(=O)NCc2ccc3c(c2)OCO3)co1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-1,3-oxazole-4-carboxamide?
The InChIKey is MOMDYBYPIMVEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O6/c1-10-13(11(2)29-23-10)6-17(24)22-19-21-14(8-26-19)18(25)20-7-12-3-4-15-16(5-12)28-9-27-15/h3-5,8H,6-7,9H2,1-2H3,(H,20,25)(H,21,22,24).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-1,3-oxazole-4-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-1,3-oxazole-4-carboxamide has a molecular weight of 398.38 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 72717072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).