N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride

C20H22ClN3O3 — CID 171708530

IUPACN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(NCc1cc(-c2ccco2)on1)c1ccccc1CC1CCNC1
InChIInChI=1S/C20H21N3O3.ClH/c24-20(17-5-2-1-4-15(17)10-14-7-8-21-12-14)22-13-16-11-19(26-23-16)18-6-3-9-25-18;/h1-6,9,11,14,21H,7-8,10,12-13H2,(H,22,24);1H
InChIKeyLUSZRYPQBVGUKG-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.44
Rot. Bonds6

About N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride

N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 171708530) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID171708530
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC NameN-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(NCc1cc(-c2ccco2)on1)c1ccccc1CC1CCNC1
InChIInChI=1S/C20H21N3O3.ClH/c24-20(17-5-2-1-4-15(17)10-14-7-8-21-12-14)22-13-16-11-19(26-23-16)18-6-3-9-25-18;/h1-6,9,11,14,21H,7-8,10,12-13H2,(H,22,24);1H
InChIKeyLUSZRYPQBVGUKG-UHFFFAOYSA-N
XLogP3.44
TPSA80.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171711983
5-ethyl-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1H-pyrazole-4-carboxamide
CID 74235471
2-(pyrrolidin-3-ylmethyl)-N-[(4-sulfamoylphenyl)methyl]benzamide;hydrochloride
CID 171709257
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171707629
2-(1,2-benzoxazol-3-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide
CID 45497837
N-[(2,5-difluorophenyl)methyl]-2-(piperidin-4-ylmethyl)benzamide
CID 166209181
N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171712805
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-oxopyran-3-carboxamide
CID 45496871
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dimethylbutanamide
CID 118334208
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79716596
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70724429
5-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 120944619

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride (CID 171708530) is N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride is Cl.O=C(NCc1cc(-c2ccco2)on1)c1ccccc1CC1CCNC1.
What is the InChIKey of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is LUSZRYPQBVGUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3.ClH/c24-20(17-5-2-1-4-15(17)10-14-7-8-21-12-14)22-13-16-11-19(26-23-16)18-6-3-9-25-18;/h1-6,9,11,14,21H,7-8,10,12-13H2,(H,22,24);1H.
What are the key properties of N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride?
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 387.87 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 171708530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).