N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide

C16H18N4O3 — CID 74247162

IUPACN-(2,1,3-benzoxadiazol-5-ylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
SMILESCc1noc(C)c1CCC(=O)N(C)Cc1ccc2nonc2c1
InChIInChI=1S/C16H18N4O3/c1-10-13(11(2)22-17-10)5-7-16(21)20(3)9-12-4-6-14-15(8-12)19-23-18-14/h4,6,8H,5,7,9H2,1-3H3
InChIKeyBOPAPWUGYNBXND-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.42
Rot. Bonds5

About N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide

N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide (PubChem CID 74247162) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
PubChem CID74247162
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
SMILESCc1noc(C)c1CCC(=O)N(C)Cc1ccc2nonc2c1
InChIInChI=1S/C16H18N4O3/c1-10-13(11(2)22-17-10)5-7-16(21)20(3)9-12-4-6-14-15(8-12)19-23-18-14/h4,6,8H,5,7,9H2,1-3H3
InChIKeyBOPAPWUGYNBXND-UHFFFAOYSA-N
XLogP2.42
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethylpropanamide
CID 60645997
N-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 86908122
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-methylamino]acetic acid
CID 43239752
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64511666
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 134028802
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 75459712
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 78806436
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 78808885
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-hydroxy-N-methylpentanamide
CID 79199241
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methylacetamide
CID 118774253
N-(2,1,3-benzoxadiazol-5-ylmethyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide
CID 56902329

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide (CID 74247162) is N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide is Cc1noc(C)c1CCC(=O)N(C)Cc1ccc2nonc2c1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide?
The InChIKey is BOPAPWUGYNBXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-10-13(11(2)22-17-10)5-7-16(21)20(3)9-12-4-6-14-15(8-12)19-23-18-14/h4,6,8H,5,7,9H2,1-3H3.
What are the key properties of N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide?
N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide has a molecular weight of 314.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-5-ylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide is sourced from PubChem (CID 74247162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).