N-[1-[2-(dimethylamino)-1-phenylethyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide

C23H23N5O2 — CID 146230184

IUPACN-[1-[2-(dimethylamino)-1-phenylethyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCN(C)CC(c1ccccc1)n1cc(NC(=O)c2cc(-c3ccccc3)on2)cn1
InChIInChI=1S/C23H23N5O2/c1-27(2)16-21(17-9-5-3-6-10-17)28-15-19(14-24-28)25-23(29)20-13-22(30-26-20)18-11-7-4-8-12-18/h3-15,21H,16H2,1-2H3,(H,25,29)
InChIKeyNXYPXWFGAIUNFW-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.94
Rot. Bonds7

About N-[1-[2-(dimethylamino)-1-phenylethyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[1-[2-(dimethylamino)-1-phenylethyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 146230184) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)-1-phenylethyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)-1-phenylethyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID146230184
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[1-[2-(dimethylamino)-1-phenylethyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCN(C)CC(c1ccccc1)n1cc(NC(=O)c2cc(-c3ccccc3)on2)cn1
InChIInChI=1S/C23H23N5O2/c1-27(2)16-21(17-9-5-3-6-10-17)28-15-19(14-24-28)25-23(29)20-13-22(30-26-20)18-11-7-4-8-12-18/h3-15,21H,16H2,1-2H3,(H,25,29)
InChIKeyNXYPXWFGAIUNFW-UHFFFAOYSA-N
XLogP3.94
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)-1-phenylethyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)-1-phenylethyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 146230184) is N-[1-[2-(dimethylamino)-1-phenylethyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)-1-phenylethyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)-1-phenylethyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide is CN(C)CC(c1ccccc1)n1cc(NC(=O)c2cc(-c3ccccc3)on2)cn1.
What is the InChIKey of N-[1-[2-(dimethylamino)-1-phenylethyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is NXYPXWFGAIUNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-27(2)16-21(17-9-5-3-6-10-17)28-15-19(14-24-28)25-23(29)20-13-22(30-26-20)18-11-7-4-8-12-18/h3-15,21H,16H2,1-2H3,(H,25,29).
What are the key properties of N-[1-[2-(dimethylamino)-1-phenylethyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[1-[2-(dimethylamino)-1-phenylethyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)-1-phenylethyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146230184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).