(5S)-5-[[[(3S)-1-benzylpiperidine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide

C18H24N4O3 — CID 124621794

IUPAC(5S)-5-[[[(3S)-1-benzylpiperidine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESNC(=O)C1=NO[C@H](CNC(=O)[C@H]2CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C18H24N4O3/c19-17(23)16-9-15(25-21-16)10-20-18(24)14-7-4-8-22(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H2,19,23)(H,20,24)/t14-,15-/m0/s1
InChIKeyOJGRMZMZHUJAKA-GJZGRUSLSA-N
MW344.41 g/mol
LogP0.64
Rot. Bonds6

About (5S)-5-[[[(3S)-1-benzylpiperidine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide

(5S)-5-[[[(3S)-1-benzylpiperidine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 124621794) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is (5S)-5-[[[(3S)-1-benzylpiperidine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name(5S)-5-[[[(3S)-1-benzylpiperidine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID124621794
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name(5S)-5-[[[(3S)-1-benzylpiperidine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESNC(=O)C1=NO[C@H](CNC(=O)[C@H]2CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C18H24N4O3/c19-17(23)16-9-15(25-21-16)10-20-18(24)14-7-4-8-22(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H2,19,23)(H,20,24)/t14-,15-/m0/s1
InChIKeyOJGRMZMZHUJAKA-GJZGRUSLSA-N
XLogP0.64
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5S)-5-[[[(3S)-1-benzylpiperidine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

(5R)-5-[[[(3R)-1-benzylpiperidine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 124829373
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
(3R)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide
CID 93490114
4-[[[(3R)-1-benzylpiperidine-3-carbonyl]amino]methyl]benzoic acid
CID 124703905
1-benzyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-3-carboxamide
CID 49214275
1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917296
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227
N-(2-aminoethyl)-1-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 119916886
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-oxocyclobutane-1-carboxamide
CID 129402077
1-benzyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 51092911

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[[(3S)-1-benzylpiperidine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of (5S)-5-[[[(3S)-1-benzylpiperidine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 124621794) is (5S)-5-[[[(3S)-1-benzylpiperidine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for (5S)-5-[[[(3S)-1-benzylpiperidine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for (5S)-5-[[[(3S)-1-benzylpiperidine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide is NC(=O)C1=NO[C@H](CNC(=O)[C@H]2CCCN(Cc3ccccc3)C2)C1.
What is the InChIKey of (5S)-5-[[[(3S)-1-benzylpiperidine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is OJGRMZMZHUJAKA-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H24N4O3/c19-17(23)16-9-15(25-21-16)10-20-18(24)14-7-4-8-22(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2,(H2,19,23)(H,20,24)/t14-,15-/m0/s1.
What are the key properties of (5S)-5-[[[(3S)-1-benzylpiperidine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
(5S)-5-[[[(3S)-1-benzylpiperidine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[[(3S)-1-benzylpiperidine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 124621794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).