4-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid

C38H28N10O7 — CID 159397164

IUPAC4-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid
SMILESN#Cc1ccc(Cn2cc(N)cn2)cc1.N#Cc1ccc(Cn2cc(NC(=O)c3cc(-c4ccco4)on3)cn2)cc1.O=C(O)c1cc(-c2ccco2)on1
InChIInChI=1S/C19H13N5O3.C11H10N4.C8H5NO4/c20-9-13-3-5-14(6-4-13)11-24-12-15(10-21-24)22-19(25)16-8-18(27-23-16)17-2-1-7-26-17;12-5-9-1-3-10(4-2-9)7-15-8-11(13)6-14-15;10-8(11)5-4-7(13-9-5)6-2-1-3-12-6/h1-8,10,12H,11H2,(H,22,25);1-4,6,8H,7,13H2;1-4H,(H,10,11)
InChIKeyLMWJWFQIKMBCSI-UHFFFAOYSA-N
MW736.71 g/mol
LogP6.32
Rot. Bonds9

About 4-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid

4-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 159397164) has the molecular formula C38H28N10O7 and a molecular weight of 736.71 g/mol. Its IUPAC name is 4-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID159397164
Molecular FormulaC38H28N10O7
Molecular Weight736.71 g/mol
Exact Mass736.21
IUPAC Name4-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid
SMILESN#Cc1ccc(Cn2cc(N)cn2)cc1.N#Cc1ccc(Cn2cc(NC(=O)c3cc(-c4ccco4)on3)cn2)cc1.O=C(O)c1cc(-c2ccco2)on1
InChIInChI=1S/C19H13N5O3.C11H10N4.C8H5NO4/c20-9-13-3-5-14(6-4-13)11-24-12-15(10-21-24)22-19(25)16-8-18(27-23-16)17-2-1-7-26-17;12-5-9-1-3-10(4-2-9)7-15-8-11(13)6-14-15;10-8(11)5-4-7(13-9-5)6-2-1-3-12-6/h1-8,10,12H,11H2,(H,22,25);1-4,6,8H,7,13H2;1-4H,(H,10,11)
InChIKeyLMWJWFQIKMBCSI-UHFFFAOYSA-N
XLogP6.32
TPSA253.98 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500736.71
LogP ≤ 56.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 4-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid with MolForge

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Related Compounds

1-(bromomethyl)-4-fluorobenzene;1-[(4-fluorophenyl)methyl]-4-nitropyrazole;1-[(4-fluorophenyl)methyl]pyrazol-4-amine;N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid;4-nitro-2H-pyrrole
CID 157369976
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 156596108
5-(furan-2-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 121016949
N-(1-benzylpyrazol-4-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 147150975
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-cyanobenzamide
CID 35277892
N-(1-benzylpyrazol-4-yl)-5-(1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 146220638
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19514082
5-(furan-2-yl)-N-[4-(sulfamoylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 24669152
3-cyano-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19411687
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-cyanobenzamide
CID 19404043
4-cyano-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 39853571
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 146220578

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid (CID 159397164) is 4-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid is N#Cc1ccc(Cn2cc(N)cn2)cc1.N#Cc1ccc(Cn2cc(NC(=O)c3cc(-c4ccco4)on3)cn2)cc1.O=C(O)c1cc(-c2ccco2)on1.
What is the InChIKey of 4-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is LMWJWFQIKMBCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O3.C11H10N4.C8H5NO4/c20-9-13-3-5-14(6-4-13)11-24-12-15(10-21-24)22-19(25)16-8-18(27-23-16)17-2-1-7-26-17;12-5-9-1-3-10(4-2-9)7-15-8-11(13)6-14-15;10-8(11)5-4-7(13-9-5)6-2-1-3-12-6/h1-8,10,12H,11H2,(H,22,25);1-4,6,8H,7,13H2;1-4H,(H,10,11).
What are the key properties of 4-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid?
4-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 736.71 g/mol, XLogP of 6.32, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(4-cyanophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;5-(furan-2-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 159397164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).