N-(2,6-dimethylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide

C17H21N3O2 — CID 46341535

IUPACN-(2,6-dimethylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc(CN2CCCC2)on1
InChIInChI=1S/C17H21N3O2/c1-12-6-5-7-13(2)16(12)18-17(21)15-10-14(22-19-15)11-20-8-3-4-9-20/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,18,21)
InChIKeySDCNYEUFQXVJFM-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.14
Rot. Bonds4

About N-(2,6-dimethylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide

N-(2,6-dimethylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 46341535) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID46341535
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(2,6-dimethylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc(CN2CCCC2)on1
InChIInChI=1S/C17H21N3O2/c1-12-6-5-7-13(2)16(12)18-17(21)15-10-14(22-19-15)11-20-8-3-4-9-20/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,18,21)
InChIKeySDCNYEUFQXVJFM-UHFFFAOYSA-N
XLogP3.14
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950980
N-(3-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950969
N-(3-methoxyphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950959
N-(2-chloro-4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950976
N-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950962
N-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950987
5-(azocan-1-ylmethyl)-1,2-oxazole-3-carbohydrazide
CID 63570998
N-[3-(1-methyltetrazol-5-yl)phenyl]-5-(piperidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 155950743
methyl 1-[3-[[5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carbonyl]amino]phenyl]cyclobutane-1-carboxylate
CID 167827227
N-(3-fluorophenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950886
N-(2-ethylphenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950884
N-(2,6-dimethylphenyl)-2-(pyrrolidin-1-ylmethyl)benzamide
CID 12806258

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide (CID 46341535) is N-(2,6-dimethylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide is Cc1cccc(C)c1NC(=O)c1cc(CN2CCCC2)on1.
What is the InChIKey of N-(2,6-dimethylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is SDCNYEUFQXVJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-6-5-7-13(2)16(12)18-17(21)15-10-14(22-19-15)11-20-8-3-4-9-20/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,18,21).
What are the key properties of N-(2,6-dimethylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
N-(2,6-dimethylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46341535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).