N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide

C10H15N3O2 — CID 2738872

IUPACN-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCNCC1)c1ccno1
InChIInChI=1S/C10H15N3O2/c14-10(9-3-6-13-15-9)12-7-8-1-4-11-5-2-8/h3,6,8,11H,1-2,4-5,7H2,(H,12,14)
InChIKeySSBIYQOOTNSLGF-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.40
Rot. Bonds3

About N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide

N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide (PubChem CID 2738872) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide
PubChem CID2738872
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCNCC1)c1ccno1
InChIInChI=1S/C10H15N3O2/c14-10(9-3-6-13-15-9)12-7-8-1-4-11-5-2-8/h3,6,8,11H,1-2,4-5,7H2,(H,12,14)
InChIKeySSBIYQOOTNSLGF-UHFFFAOYSA-N
XLogP0.40
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 137654325
CID 137654325
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1,2-oxazol-5-yl)methanone
CID 24945129
N-[1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 137633152
N-[1-[[(2S,3S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 137638214
N-[1-[[2-[(2-amino-2-oxoethyl)amino]-1-cyclohexyl-2-oxoethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 137661916
3,7-Diazabicyclo[3.3.1]nonan-3-yl(1,2-oxazol-5-yl)methanone
CID 24945458
N-[(2S)-1-[[(2S,3S)-1-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 56640398
5-Isoxazoyl-Cha-Ile-NH2
CID 49788154
Tert-butyl 4-[(1,2-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylate
CID 2738834
N-butyl-2-methyl-1-(1,2-oxazole-5-carbonyl)piperidine-2-carboxamide
CID 46942971
Methyl 4-((isoxazole-5-carboxamido)methyl)piperidine-1-carboxylate
CID 49754849
N-[(2S)-1-[[(2S,3S)-1-(3-aminopropylamino)-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 49788232

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide (CID 2738872) is N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide is O=C(NCC1CCNCC1)c1ccno1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is SSBIYQOOTNSLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-10(9-3-6-13-15-9)12-7-8-1-4-11-5-2-8/h3,6,8,11H,1-2,4-5,7H2,(H,12,14).
What are the key properties of N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide?
N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 2738872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).