N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide

C16H18N4O4 — CID 71797361

IUPACN-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOCCn1nc(CNC(=O)c2cc(C)on2)cc1-c1ccco1
InChIInChI=1S/C16H18N4O4/c1-11-8-13(19-24-11)16(21)17-10-12-9-14(15-4-3-6-23-15)20(18-12)5-7-22-2/h3-4,6,8-9H,5,7,10H2,1-2H3,(H,17,21)
InChIKeyQUOJCEFAJFZGCB-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.02
Rot. Bonds7

About N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 71797361) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID71797361
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC NameN-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOCCn1nc(CNC(=O)c2cc(C)on2)cc1-c1ccco1
InChIInChI=1S/C16H18N4O4/c1-11-8-13(19-24-11)16(21)17-10-12-9-14(15-4-3-6-23-15)20(18-12)5-7-22-2/h3-4,6,8-9H,5,7,10H2,1-2H3,(H,17,21)
InChIKeyQUOJCEFAJFZGCB-UHFFFAOYSA-N
XLogP2.02
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 71797361) is N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is COCCn1nc(CNC(=O)c2cc(C)on2)cc1-c1ccco1.
What is the InChIKey of N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is QUOJCEFAJFZGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-11-8-13(19-24-11)16(21)17-10-12-9-14(15-4-3-6-23-15)20(18-12)5-7-22-2/h3-4,6,8-9H,5,7,10H2,1-2H3,(H,17,21).
What are the key properties of N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1-(2-methoxyethyl)pyrazol-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71797361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).