N-(2-chloro-4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide

C16H18ClN3O2 — CID 20950976

IUPACN-(2-chloro-4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(CN3CCCC3)on2)c(Cl)c1
InChIInChI=1S/C16H18ClN3O2/c1-11-4-5-14(13(17)8-11)18-16(21)15-9-12(22-19-15)10-20-6-2-3-7-20/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,18,21)
InChIKeyIFJDLRNHMZKCAB-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.48
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide

N-(2-chloro-4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 20950976) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID20950976
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC NameN-(2-chloro-4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(CN3CCCC3)on2)c(Cl)c1
InChIInChI=1S/C16H18ClN3O2/c1-11-4-5-14(13(17)8-11)18-16(21)15-9-12(22-19-15)10-20-6-2-3-7-20/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,18,21)
InChIKeyIFJDLRNHMZKCAB-UHFFFAOYSA-N
XLogP3.48
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46341535
N-(4-chlorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950962
N-(4-bromo-3-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950980
5-(azocan-1-ylmethyl)-1,2-oxazole-3-carbohydrazide
CID 63570998
N-(3-fluorophenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950969
N-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950987
N-(3-methoxyphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950959
N-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 112807159
N-(2-ethylphenyl)-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950884
5-(azocan-1-ylmethyl)-3-(4-methylphenyl)-1,2-oxazole
CID 55648727
N-(2-chloro-4-methylphenyl)azocane-1-carboxamide
CID 17180409
N-(2-chloro-4-methylphenyl)-2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]acetamide
CID 71986633

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide (CID 20950976) is N-(2-chloro-4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide is Cc1ccc(NC(=O)c2cc(CN3CCCC3)on2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is IFJDLRNHMZKCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-11-4-5-14(13(17)8-11)18-16(21)15-9-12(22-19-15)10-20-6-2-3-7-20/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,18,21).
What are the key properties of N-(2-chloro-4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide?
N-(2-chloro-4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 20950976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).