4-(hydroxymethyl)-5-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide

C18H23N3O3 — CID 118778689

IUPAC4-(hydroxymethyl)-5-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccccc1N1CCC(CNC(=O)c2noc(C)c2CO)C1
InChIInChI=1S/C18H23N3O3/c1-12-5-3-4-6-16(12)21-8-7-14(10-21)9-19-18(23)17-15(11-22)13(2)24-20-17/h3-6,14,22H,7-11H2,1-2H3,(H,19,23)
InChIKeyGTIJMTDGFKHOSS-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.04
Rot. Bonds5

About 4-(hydroxymethyl)-5-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide

4-(hydroxymethyl)-5-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 118778689) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(hydroxymethyl)-5-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-5-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID118778689
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name4-(hydroxymethyl)-5-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccccc1N1CCC(CNC(=O)c2noc(C)c2CO)C1
InChIInChI=1S/C18H23N3O3/c1-12-5-3-4-6-16(12)21-8-7-14(10-21)9-19-18(23)17-15(11-22)13(2)24-20-17/h3-6,14,22H,7-11H2,1-2H3,(H,19,23)
InChIKeyGTIJMTDGFKHOSS-UHFFFAOYSA-N
XLogP2.04
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide
CID 91777956
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CID 131890040
N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 125143348
N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide
CID 125168380
N-[[(3R)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 97124788
7-methyl-N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 124852243
2-(2,4-dimethoxyphenyl)-N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 125174267
N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide
CID 72844031
3-[1-(2-methylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002587
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 95326935
1-[1-(2-methylphenyl)pyrrolidin-3-yl]-N-[(2-methylpyrimidin-5-yl)methyl]methanamine
CID 131925495
[1-(2-methylphenyl)piperidin-3-yl]methanol
CID 117026126

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-5-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-5-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide (CID 118778689) is 4-(hydroxymethyl)-5-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-5-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-5-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide is Cc1ccccc1N1CCC(CNC(=O)c2noc(C)c2CO)C1.
What is the InChIKey of 4-(hydroxymethyl)-5-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is GTIJMTDGFKHOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-5-3-4-6-16(12)21-8-7-14(10-21)9-19-18(23)17-15(11-22)13(2)24-20-17/h3-6,14,22H,7-11H2,1-2H3,(H,19,23).
What are the key properties of 4-(hydroxymethyl)-5-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
4-(hydroxymethyl)-5-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-5-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118778689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).