N-(1-benzylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C18H14N4O3 — CID 51123848

IUPACN-(1-benzylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2ccco2)on1
InChIInChI=1S/C18H14N4O3/c23-18(15-9-17(25-21-15)16-7-4-8-24-16)20-14-10-19-22(12-14)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,20,23)
InChIKeyTXRXZXXDVZMXQI-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.43
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-(1-benzylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 51123848) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID51123848
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC NameN-(1-benzylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2ccco2)on1
InChIInChI=1S/C18H14N4O3/c23-18(15-9-17(25-21-15)16-7-4-8-24-16)20-14-10-19-22(12-14)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,20,23)
InChIKeyTXRXZXXDVZMXQI-UHFFFAOYSA-N
XLogP3.43
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(2-furyl)isoxazole-3-carboxamide
CID 3237340
N-[1-[(4-fluorophenyl)methyl]-4-pyrazolyl]-5-(2-furanyl)-3-isoxazolecarboxamide
CID 5082003
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-methoxybenzamide
CID 57945012
Ceapin-A7
CID 154730128
5-(2-furyl)-N-pyridin-3-ylisoxazole-3-carboxamide
CID 3240221
5-(2-furyl)-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]isoxazole-3-carboxamide
CID 3243785
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-5-(2-furanyl)-3-isoxazolecarboxamide
CID 3244386
N-[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-(2-furyl)isoxazole-3-carboxamide
CID 3245923
5-(2-furyl)-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide
CID 16188019
5-[(2,6-difluorophenoxy)methyl]-N-[2-(1-phenyl-1H-pyrazol-4-yl)ethyl]isoxazole-3-carboxamide
CID 16188528
5-[(2,6-difluorophenoxy)methyl]-N-[3-(1H-indazol-1-yl)propyl]isoxazole-3-carboxamide
CID 16192423
5-[(2,5-dimethylphenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)isoxazole-3-carboxamide
CID 24790244

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 51123848) is N-(1-benzylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2ccco2)on1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is TXRXZXXDVZMXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c23-18(15-9-17(25-21-15)16-7-4-8-24-16)20-14-10-19-22(12-14)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,20,23).
What are the key properties of N-(1-benzylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51123848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).