N-(furan-2-ylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide

C26H24N4O4 — CID 24982200

IUPACN-(furan-2-ylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(C2=NOC(Cn3nc(C(=O)NCc4ccco4)cc3-c3ccccc3)C2)cc1
InChIInChI=1S/C26H24N4O4/c1-32-20-11-9-18(10-12-20)23-14-22(34-29-23)17-30-25(19-6-3-2-4-7-19)15-24(28-30)26(31)27-16-21-8-5-13-33-21/h2-13,15,22H,14,16-17H2,1H3,(H,27,31)
InChIKeyFUFCTFAILVTBGF-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.27
Rot. Bonds8

About N-(furan-2-ylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide

N-(furan-2-ylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide (PubChem CID 24982200) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide
PubChem CID24982200
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC NameN-(furan-2-ylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(C2=NOC(Cn3nc(C(=O)NCc4ccco4)cc3-c3ccccc3)C2)cc1
InChIInChI=1S/C26H24N4O4/c1-32-20-11-9-18(10-12-20)23-14-22(34-29-23)17-30-25(19-6-3-2-4-7-19)15-24(28-30)26(31)27-16-21-8-5-13-33-21/h2-13,15,22H,14,16-17H2,1H3,(H,27,31)
InChIKeyFUFCTFAILVTBGF-UHFFFAOYSA-N
XLogP4.27
TPSA90.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide (CID 24982200) is N-(furan-2-ylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide is COc1ccc(C2=NOC(Cn3nc(C(=O)NCc4ccco4)cc3-c3ccccc3)C2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide?
The InChIKey is FUFCTFAILVTBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-32-20-11-9-18(10-12-20)23-14-22(34-29-23)17-30-25(19-6-3-2-4-7-19)15-24(28-30)26(31)27-16-21-8-5-13-33-21/h2-13,15,22H,14,16-17H2,1H3,(H,27,31).
What are the key properties of N-(furan-2-ylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide?
N-(furan-2-ylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide has a molecular weight of 456.50 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 24982200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).