3-[1-(2-iminoethyl)piperidin-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C11H18N4O2 — CID 87753672

IUPAC3-[1-(2-iminoethyl)piperidin-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILES[H]/N=C/CN1CCC(C2=NOC(C(N)=O)C2)CC1
InChIInChI=1S/C11H18N4O2/c12-3-6-15-4-1-8(2-5-15)9-7-10(11(13)16)17-14-9/h3,8,10,12H,1-2,4-7H2,(H2,13,16)/b12-3+
InChIKeyRBOYUCQEAXHSRI-KGVSQERTSA-N
MW238.29 g/mol
LogP-0.02
Rot. Bonds4

About 3-[1-(2-iminoethyl)piperidin-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-[1-(2-iminoethyl)piperidin-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 87753672) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[1-(2-iminoethyl)piperidin-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[1-(2-iminoethyl)piperidin-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID87753672
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-[1-(2-iminoethyl)piperidin-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILES[H]/N=C/CN1CCC(C2=NOC(C(N)=O)C2)CC1
InChIInChI=1S/C11H18N4O2/c12-3-6-15-4-1-8(2-5-15)9-7-10(11(13)16)17-14-9/h3,8,10,12H,1-2,4-7H2,(H2,13,16)/b12-3+
InChIKeyRBOYUCQEAXHSRI-KGVSQERTSA-N
XLogP-0.02
TPSA91.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[1-(2-iminoethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 87753410
3-(4-carbamimidoylphenyl)-5-[[[1-(2-iminoethyl)piperidin-4-yl]methylamino]methyl]benzoic acid
CID 91186735
1-cyclopentyl-2-[4-(2-iminoethyl)piperazin-1-yl]-1-phenylethanol
CID 88623213
2-[4-[[3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidin-1-yl]acetic acid
CID 18407612
benzene;1-ethylpiperidine-4-carboxamide
CID 91582947
3-pyrazin-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 163398085
1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl]piperidine-4-carboxamide
CID 129367099
4-[(E)-3-pyridin-4-ylprop-2-enyl]morpholine-2-carboxamide
CID 167822287
1-(7-iminoheptyl)piperidin-4-ol
CID 176554267
(2R,3S)-2-[1-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide
CID 154759723
3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 68864716
3-(1-ethylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117150625

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-iminoethyl)piperidin-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[1-(2-iminoethyl)piperidin-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 87753672) is 3-[1-(2-iminoethyl)piperidin-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[1-(2-iminoethyl)piperidin-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[1-(2-iminoethyl)piperidin-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide is [H]/N=C/CN1CCC(C2=NOC(C(N)=O)C2)CC1.
What is the InChIKey of 3-[1-(2-iminoethyl)piperidin-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is RBOYUCQEAXHSRI-KGVSQERTSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-3-6-15-4-1-8(2-5-15)9-7-10(11(13)16)17-14-9/h3,8,10,12H,1-2,4-7H2,(H2,13,16)/b12-3+.
What are the key properties of 3-[1-(2-iminoethyl)piperidin-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-[1-(2-iminoethyl)piperidin-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 238.29 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-iminoethyl)piperidin-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 87753672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).