[4-[(5-ethenyl-1,2-oxazole-3-carbonyl)amino]cyclohexyl]azanium

C12H18N3O2+ — CID 163919078

IUPAC[4-[(5-ethenyl-1,2-oxazole-3-carbonyl)amino]cyclohexyl]azanium
SMILESC=Cc1cc(C(=O)NC2CCC([NH3+])CC2)no1
InChIInChI=1S/C12H17N3O2/c1-2-10-7-11(15-17-10)12(16)14-9-5-3-8(13)4-6-9/h2,7-9H,1,3-6,13H2,(H,14,16)/p+1
InChIKeyQYVMHFCWHNNRFM-UHFFFAOYSA-O
MW236.29 g/mol
LogP0.60
Rot. Bonds3

About [4-[(5-ethenyl-1,2-oxazole-3-carbonyl)amino]cyclohexyl]azanium

[4-[(5-ethenyl-1,2-oxazole-3-carbonyl)amino]cyclohexyl]azanium (PubChem CID 163919078) has the molecular formula C12H18N3O2+ and a molecular weight of 236.29 g/mol. Its IUPAC name is [4-[(5-ethenyl-1,2-oxazole-3-carbonyl)amino]cyclohexyl]azanium.

Molecular Properties

Compound Name[4-[(5-ethenyl-1,2-oxazole-3-carbonyl)amino]cyclohexyl]azanium
PubChem CID163919078
Molecular FormulaC12H18N3O2+
Molecular Weight236.29 g/mol
Exact Mass236.14
IUPAC Name[4-[(5-ethenyl-1,2-oxazole-3-carbonyl)amino]cyclohexyl]azanium
SMILESC=Cc1cc(C(=O)NC2CCC([NH3+])CC2)no1
InChIInChI=1S/C12H17N3O2/c1-2-10-7-11(15-17-10)12(16)14-9-5-3-8(13)4-6-9/h2,7-9H,1,3-6,13H2,(H,14,16)/p+1
InChIKeyQYVMHFCWHNNRFM-UHFFFAOYSA-O
XLogP0.60
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-ethenyl-1,2-oxazole-3-carbonyl)amino]cyclohexyl]azanium?
The IUPAC name of [4-[(5-ethenyl-1,2-oxazole-3-carbonyl)amino]cyclohexyl]azanium (CID 163919078) is [4-[(5-ethenyl-1,2-oxazole-3-carbonyl)amino]cyclohexyl]azanium.
What is the SMILES notation for [4-[(5-ethenyl-1,2-oxazole-3-carbonyl)amino]cyclohexyl]azanium?
The canonical SMILES for [4-[(5-ethenyl-1,2-oxazole-3-carbonyl)amino]cyclohexyl]azanium is C=Cc1cc(C(=O)NC2CCC([NH3+])CC2)no1.
What is the InChIKey of [4-[(5-ethenyl-1,2-oxazole-3-carbonyl)amino]cyclohexyl]azanium?
The InChIKey is QYVMHFCWHNNRFM-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H17N3O2/c1-2-10-7-11(15-17-10)12(16)14-9-5-3-8(13)4-6-9/h2,7-9H,1,3-6,13H2,(H,14,16)/p+1.
What are the key properties of [4-[(5-ethenyl-1,2-oxazole-3-carbonyl)amino]cyclohexyl]azanium?
[4-[(5-ethenyl-1,2-oxazole-3-carbonyl)amino]cyclohexyl]azanium has a molecular weight of 236.29 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-ethenyl-1,2-oxazole-3-carbonyl)amino]cyclohexyl]azanium is sourced from PubChem (CID 163919078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).