N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-imidazol-1-ylpropanamide

C13H20N4O2 — CID 66213092

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-imidazol-1-ylpropanamide
SMILESNC1C2CCCOC2C1NC(=O)CCn1ccnc1
InChIInChI=1S/C13H20N4O2/c14-11-9-2-1-7-19-13(9)12(11)16-10(18)3-5-17-6-4-15-8-17/h4,6,8-9,11-13H,1-3,5,7,14H2,(H,16,18)
InChIKeyJGIQEPDHNMYUFR-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.11
Rot. Bonds4

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-imidazol-1-ylpropanamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-imidazol-1-ylpropanamide (PubChem CID 66213092) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-imidazol-1-ylpropanamide
PubChem CID66213092
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-imidazol-1-ylpropanamide
SMILESNC1C2CCCOC2C1NC(=O)CCn1ccnc1
InChIInChI=1S/C13H20N4O2/c14-11-9-2-1-7-19-13(9)12(11)16-10(18)3-5-17-6-4-15-8-17/h4,6,8-9,11-13H,1-3,5,7,14H2,(H,16,18)
InChIKeyJGIQEPDHNMYUFR-UHFFFAOYSA-N
XLogP-0.11
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-cyclobutylacetamide
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N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-cyclopentylacetamide
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N-[(1S,2S)-2-hydroxycyclohexyl]-3-imidazol-1-ylpropanamide
CID 104957006
4-imidazol-1-yl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]butanamide
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(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(3-imidazol-1-ylpropanoyl)butanamide
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N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2,3-dihydroxybenzamide
CID 114345078
3-[(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)amino]-1-propylpyrazin-2-one
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3-imidazol-1-yl-N-(4-methylpyrrolidin-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-imidazol-1-ylpropanamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-imidazol-1-ylpropanamide (CID 66213092) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-imidazol-1-ylpropanamide is NC1C2CCCOC2C1NC(=O)CCn1ccnc1.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-imidazol-1-ylpropanamide?
The InChIKey is JGIQEPDHNMYUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c14-11-9-2-1-7-19-13(9)12(11)16-10(18)3-5-17-6-4-15-8-17/h4,6,8-9,11-13H,1-3,5,7,14H2,(H,16,18).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-imidazol-1-ylpropanamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-imidazol-1-ylpropanamide has a molecular weight of 264.33 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 66213092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).