N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C18H22N4O2 — CID 136543535

IUPACN-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESO=C(NCC1CCN(Cc2ccccc2)C1)c1cc2n(n1)CCO2
InChIInChI=1S/C18H22N4O2/c23-18(16-10-17-22(20-16)8-9-24-17)19-11-15-6-7-21(13-15)12-14-4-2-1-3-5-14/h1-5,10,15H,6-9,11-13H2,(H,19,23)
InChIKeySUXMUEMSYIDKOP-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.53
Rot. Bonds5

About N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 136543535) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID136543535
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESO=C(NCC1CCN(Cc2ccccc2)C1)c1cc2n(n1)CCO2
InChIInChI=1S/C18H22N4O2/c23-18(16-10-17-22(20-16)8-9-24-17)19-11-15-6-7-21(13-15)12-14-4-2-1-3-5-14/h1-5,10,15H,6-9,11-13H2,(H,19,23)
InChIKeySUXMUEMSYIDKOP-UHFFFAOYSA-N
XLogP1.53
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide with MolForge

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Related Compounds

(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
N-(1-benzylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959265
2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553008
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
2-amino-N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553009
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 66565184
N-[(2R)-4-phenylbutan-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 97104398
N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 56703727
N-[[(5R)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 97106799
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 124514796
N-[1-[(5-methylthiophen-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 167746254
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(furan-2-yl)-2-oxoacetamide
CID 77092347

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 136543535) is N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is O=C(NCC1CCN(Cc2ccccc2)C1)c1cc2n(n1)CCO2.
What is the InChIKey of N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is SUXMUEMSYIDKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(16-10-17-22(20-16)8-9-24-17)19-11-15-6-7-21(13-15)12-14-4-2-1-3-5-14/h1-5,10,15H,6-9,11-13H2,(H,19,23).
What are the key properties of N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 136543535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).