5-methyl-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide

C23H26N3O2+ — CID 9142942

IUPAC5-methyl-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCc1ccccc1C[NH+]1CCCC1
InChIInChI=1S/C23H25N3O2/c1-17-21(22(25-28-17)18-9-3-2-4-10-18)23(27)24-15-19-11-5-6-12-20(19)16-26-13-7-8-14-26/h2-6,9-12H,7-8,13-16H2,1H3,(H,24,27)/p+1
InChIKeyGFCLFYUQCYCWGT-UHFFFAOYSA-O
MW376.48 g/mol
LogP2.76
Rot. Bonds6

About 5-methyl-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide

5-methyl-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide (PubChem CID 9142942) has the molecular formula C23H26N3O2+ and a molecular weight of 376.48 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
PubChem CID9142942
Molecular FormulaC23H26N3O2+
Molecular Weight376.48 g/mol
Exact Mass376.20
IUPAC Name5-methyl-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCc1ccccc1C[NH+]1CCCC1
InChIInChI=1S/C23H25N3O2/c1-17-21(22(25-28-17)18-9-3-2-4-10-18)23(27)24-15-19-11-5-6-12-20(19)16-26-13-7-8-14-26/h2-6,9-12H,7-8,13-16H2,1H3,(H,24,27)/p+1
InChIKeyGFCLFYUQCYCWGT-UHFFFAOYSA-O
XLogP2.76
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,5-dimethylpyrrol-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 17423337
2-[2-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]phenyl]acetic acid
CID 81312082
N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805807
3,5-dimethyl-1-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 9142977
N-[(5-chlorothiophen-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 32826150
2,2-dimethyl-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 119249512
5-methyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 119512632
N-[2-(4-fluorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 831462
N-[2-(4-chlorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2078310
3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 9209694
N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60532703
5-methyl-3-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]-1,2-oxazole-4-carboxamide
CID 57328394

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide (CID 9142942) is 5-methyl-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)NCc1ccccc1C[NH+]1CCCC1.
What is the InChIKey of 5-methyl-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is GFCLFYUQCYCWGT-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H25N3O2/c1-17-21(22(25-28-17)18-9-3-2-4-10-18)23(27)24-15-19-11-5-6-12-20(19)16-26-13-7-8-14-26/h2-6,9-12H,7-8,13-16H2,1H3,(H,24,27)/p+1.
What are the key properties of 5-methyl-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 9142942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).