N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

C14H21N5O3 — CID 72907058

IUPACN-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCOCc1nc(CNC(=O)C(C)n2ccnc2C(C)C)no1
InChIInChI=1S/C14H21N5O3/c1-9(2)13-15-5-6-19(13)10(3)14(20)16-7-11-17-12(8-21-4)22-18-11/h5-6,9-10H,7-8H2,1-4H3,(H,16,20)
InChIKeyROOYMEVUFFXMSD-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.41
Rot. Bonds7

About N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 72907058) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
PubChem CID72907058
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC NameN-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCOCc1nc(CNC(=O)C(C)n2ccnc2C(C)C)no1
InChIInChI=1S/C14H21N5O3/c1-9(2)13-15-5-6-19(13)10(3)14(20)16-7-11-17-12(8-21-4)22-18-11/h5-6,9-10H,7-8H2,1-4H3,(H,16,20)
InChIKeyROOYMEVUFFXMSD-UHFFFAOYSA-N
XLogP1.41
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (CID 72907058) is N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is COCc1nc(CNC(=O)C(C)n2ccnc2C(C)C)no1.
What is the InChIKey of N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is ROOYMEVUFFXMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-9(2)13-15-5-6-19(13)10(3)14(20)16-7-11-17-12(8-21-4)22-18-11/h5-6,9-10H,7-8H2,1-4H3,(H,16,20).
What are the key properties of N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 307.35 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 72907058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).