N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide

C16H19N3O3 — CID 3153700

IUPACN-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
SMILESCc1cc(NC(=O)CCCC(=O)NCc2ccccc2)no1
InChIInChI=1S/C16H19N3O3/c1-12-10-14(19-22-12)18-16(21)9-5-8-15(20)17-11-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,17,20)(H,18,19,21)
InChIKeyHKBGUFIMMBOILW-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.41
Rot. Bonds7

About N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide

N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide (PubChem CID 3153700) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide.

Molecular Properties

Compound NameN-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
PubChem CID3153700
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
SMILESCc1cc(NC(=O)CCCC(=O)NCc2ccccc2)no1
InChIInChI=1S/C16H19N3O3/c1-12-10-14(19-22-12)18-16(21)9-5-8-15(20)17-11-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,17,20)(H,18,19,21)
InChIKeyHKBGUFIMMBOILW-UHFFFAOYSA-N
XLogP2.41
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide?
The IUPAC name of N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide (CID 3153700) is N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide.
What is the SMILES notation for N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide?
The canonical SMILES for N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide is Cc1cc(NC(=O)CCCC(=O)NCc2ccccc2)no1.
What is the InChIKey of N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide?
The InChIKey is HKBGUFIMMBOILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-12-10-14(19-22-12)18-16(21)9-5-8-15(20)17-11-13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,17,20)(H,18,19,21).
What are the key properties of N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide?
N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide has a molecular weight of 301.35 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide is sourced from PubChem (CID 3153700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).