N'-[3-[2-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-4-oxopiperidine-1-carboximidamide

C25H26N4O3 — CID 18693520

IUPACN'-[3-[2-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-4-oxopiperidine-1-carboximidamide
SMILESCC(C)(c1cccc(C(=O)c2ccccc2)c1)c1cc(/N=C(\N)N2CCC(=O)CC2)on1
InChIInChI=1S/C25H26N4O3/c1-25(2,19-10-6-9-18(15-19)23(31)17-7-4-3-5-8-17)21-16-22(32-28-21)27-24(26)29-13-11-20(30)12-14-29/h3-10,15-16H,11-14H2,1-2H3,(H2,26,27)
InChIKeyMVRPZLAVZFDMLC-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.84
Rot. Bonds5

About N'-[3-[2-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-4-oxopiperidine-1-carboximidamide

N'-[3-[2-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-4-oxopiperidine-1-carboximidamide (PubChem CID 18693520) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N'-[3-[2-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-4-oxopiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[3-[2-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-4-oxopiperidine-1-carboximidamide
PubChem CID18693520
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN'-[3-[2-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-4-oxopiperidine-1-carboximidamide
SMILESCC(C)(c1cccc(C(=O)c2ccccc2)c1)c1cc(/N=C(\N)N2CCC(=O)CC2)on1
InChIInChI=1S/C25H26N4O3/c1-25(2,19-10-6-9-18(15-19)23(31)17-7-4-3-5-8-17)21-16-22(32-28-21)27-24(26)29-13-11-20(30)12-14-29/h3-10,15-16H,11-14H2,1-2H3,(H2,26,27)
InChIKeyMVRPZLAVZFDMLC-UHFFFAOYSA-N
XLogP3.84
TPSA101.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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CID 9800765
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CID 26743276
N-benzyl-N-methyl-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 40777357
SMP 114; N-[3-[(1S)-1-(2-Fluoro[1,1'-biphenyl]-4-yl)ethyl]-5-isoxazolyl]-4-morpholinecarboximidamide
CID 40486337
3-[1-(4-Tert-butylbenzoyl)piperidin-4-YL]-1,2-oxazol-5-amine
CID 53146498
3-[1-(3-Methylbenzoyl)piperidin-4-YL]-1,2-oxazol-5-amine
CID 53014100
1-[4-(5-Amino-1,2-oxazol-3-YL)piperidin-1-YL]-2-phenylpropan-1-one
CID 53146515
1-[4-(5-Amino-1,2-oxazol-3-YL)piperidin-1-YL]-2-(3-methylphenyl)ethan-1-one
CID 53146516
N-{3-[3-(diphenylmethyl)-6,7-dihydroisoxazolo[4,5-c]pyridin-5(4H)-yl]-3-oxopropyl}urea
CID 56738135
2-{methyl[(5-phenylisoxazol-3-yl)methyl]amino}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
CID 136073573
CID 10157465
CID 10157465
2-[[3-[1-(3-Fluoro-4-phenylphenyl)ethenyl]-1,2-oxazol-5-yl]methyl]-1,1-dimethylguanidine
CID 18693329

Frequently Asked Questions

What is the IUPAC name of N'-[3-[2-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-4-oxopiperidine-1-carboximidamide?
The IUPAC name of N'-[3-[2-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-4-oxopiperidine-1-carboximidamide (CID 18693520) is N'-[3-[2-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-4-oxopiperidine-1-carboximidamide.
What is the SMILES notation for N'-[3-[2-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-4-oxopiperidine-1-carboximidamide?
The canonical SMILES for N'-[3-[2-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-4-oxopiperidine-1-carboximidamide is CC(C)(c1cccc(C(=O)c2ccccc2)c1)c1cc(/N=C(\N)N2CCC(=O)CC2)on1.
What is the InChIKey of N'-[3-[2-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-4-oxopiperidine-1-carboximidamide?
The InChIKey is MVRPZLAVZFDMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-25(2,19-10-6-9-18(15-19)23(31)17-7-4-3-5-8-17)21-16-22(32-28-21)27-24(26)29-13-11-20(30)12-14-29/h3-10,15-16H,11-14H2,1-2H3,(H2,26,27).
What are the key properties of N'-[3-[2-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-4-oxopiperidine-1-carboximidamide?
N'-[3-[2-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-4-oxopiperidine-1-carboximidamide has a molecular weight of 430.51 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[2-(3-benzoylphenyl)propan-2-yl]-1,2-oxazol-5-yl]-4-oxopiperidine-1-carboximidamide is sourced from PubChem (CID 18693520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).