1-(1,2-oxazol-3-ylmethylamino)cyclohexane-1-carboxamide

C11H17N3O2 — CID 71921578

IUPAC1-(1,2-oxazol-3-ylmethylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1(NCc2ccon2)CCCCC1
InChIInChI=1S/C11H17N3O2/c12-10(15)11(5-2-1-3-6-11)13-8-9-4-7-16-14-9/h4,7,13H,1-3,5-6,8H2,(H2,12,15)
InChIKeyBPGAZQLJWBDCNG-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.95
Rot. Bonds4

About 1-(1,2-oxazol-3-ylmethylamino)cyclohexane-1-carboxamide

1-(1,2-oxazol-3-ylmethylamino)cyclohexane-1-carboxamide (PubChem CID 71921578) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(1,2-oxazol-3-ylmethylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(1,2-oxazol-3-ylmethylamino)cyclohexane-1-carboxamide
PubChem CID71921578
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(1,2-oxazol-3-ylmethylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1(NCc2ccon2)CCCCC1
InChIInChI=1S/C11H17N3O2/c12-10(15)11(5-2-1-3-6-11)13-8-9-4-7-16-14-9/h4,7,13H,1-3,5-6,8H2,(H2,12,15)
InChIKeyBPGAZQLJWBDCNG-UHFFFAOYSA-N
XLogP0.95
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-3-ylmethylamino)cyclohexane-1-carboxamide?
The IUPAC name of 1-(1,2-oxazol-3-ylmethylamino)cyclohexane-1-carboxamide (CID 71921578) is 1-(1,2-oxazol-3-ylmethylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(1,2-oxazol-3-ylmethylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(1,2-oxazol-3-ylmethylamino)cyclohexane-1-carboxamide is NC(=O)C1(NCc2ccon2)CCCCC1.
What is the InChIKey of 1-(1,2-oxazol-3-ylmethylamino)cyclohexane-1-carboxamide?
The InChIKey is BPGAZQLJWBDCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-10(15)11(5-2-1-3-6-11)13-8-9-4-7-16-14-9/h4,7,13H,1-3,5-6,8H2,(H2,12,15).
What are the key properties of 1-(1,2-oxazol-3-ylmethylamino)cyclohexane-1-carboxamide?
1-(1,2-oxazol-3-ylmethylamino)cyclohexane-1-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-3-ylmethylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 71921578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).