N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-ethyl-2-methylpropanamide

C16H21ClN2O2 — CID 42669706

IUPACN-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-ethyl-2-methylpropanamide
SMILESCCN(CC1CC(c2ccc(Cl)cc2)=NO1)C(=O)C(C)C
InChIInChI=1S/C16H21ClN2O2/c1-4-19(16(20)11(2)3)10-14-9-15(18-21-14)12-5-7-13(17)8-6-12/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyMVFXUHLKHHOKRQ-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.34
Rot. Bonds5

About N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-ethyl-2-methylpropanamide

N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-ethyl-2-methylpropanamide (PubChem CID 42669706) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-ethyl-2-methylpropanamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-ethyl-2-methylpropanamide
PubChem CID42669706
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-ethyl-2-methylpropanamide
SMILESCCN(CC1CC(c2ccc(Cl)cc2)=NO1)C(=O)C(C)C
InChIInChI=1S/C16H21ClN2O2/c1-4-19(16(20)11(2)3)10-14-9-15(18-21-14)12-5-7-13(17)8-6-12/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyMVFXUHLKHHOKRQ-UHFFFAOYSA-N
XLogP3.34
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-ethyl-2-methylpropanamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-ethyl-2-methylpropanamide (CID 42669706) is N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-ethyl-2-methylpropanamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-ethyl-2-methylpropanamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-ethyl-2-methylpropanamide is CCN(CC1CC(c2ccc(Cl)cc2)=NO1)C(=O)C(C)C.
What is the InChIKey of N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-ethyl-2-methylpropanamide?
The InChIKey is MVFXUHLKHHOKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-4-19(16(20)11(2)3)10-14-9-15(18-21-14)12-5-7-13(17)8-6-12/h5-8,11,14H,4,9-10H2,1-3H3.
What are the key properties of N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-ethyl-2-methylpropanamide?
N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-ethyl-2-methylpropanamide has a molecular weight of 308.81 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-ethyl-2-methylpropanamide is sourced from PubChem (CID 42669706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).