N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide

C16H20ClN3O2 — CID 51097530

IUPACN-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(CCN(C)C)Cc2ccc(Cl)cc2)no1
InChIInChI=1S/C16H20ClN3O2/c1-12-10-15(18-22-12)16(21)20(9-8-19(2)3)11-13-4-6-14(17)7-5-13/h4-7,10H,8-9,11H2,1-3H3
InChIKeyBQDMDGBPMFNIHN-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.84
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 51097530) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID51097530
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(CCN(C)C)Cc2ccc(Cl)cc2)no1
InChIInChI=1S/C16H20ClN3O2/c1-12-10-15(18-22-12)16(21)20(9-8-19(2)3)11-13-4-6-14(17)7-5-13/h4-7,10H,8-9,11H2,1-3H3
InChIKeyBQDMDGBPMFNIHN-UHFFFAOYSA-N
XLogP2.84
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 51097530) is N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N(CCN(C)C)Cc2ccc(Cl)cc2)no1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is BQDMDGBPMFNIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-12-10-15(18-22-12)16(21)20(9-8-19(2)3)11-13-4-6-14(17)7-5-13/h4-7,10H,8-9,11H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 321.81 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51097530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).