N-[[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-N-propylpropanamide

C17H22Cl2N2O2 — CID 42815804

IUPACN-[[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-N-propylpropanamide
SMILESCCCN(CC1CC(c2ccc(Cl)c(Cl)c2)=NO1)C(=O)C(C)C
InChIInChI=1S/C17H22Cl2N2O2/c1-4-7-21(17(22)11(2)3)10-13-9-16(20-23-13)12-5-6-14(18)15(19)8-12/h5-6,8,11,13H,4,7,9-10H2,1-3H3
InChIKeyKZQZGZZHNONZSV-UHFFFAOYSA-N
MW357.28 g/mol
LogP4.38
Rot. Bonds6

About N-[[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-N-propylpropanamide

N-[[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-N-propylpropanamide (PubChem CID 42815804) has the molecular formula C17H22Cl2N2O2 and a molecular weight of 357.28 g/mol. Its IUPAC name is N-[[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-N-propylpropanamide.

Molecular Properties

Compound NameN-[[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-N-propylpropanamide
PubChem CID42815804
Molecular FormulaC17H22Cl2N2O2
Molecular Weight357.28 g/mol
Exact Mass356.11
IUPAC NameN-[[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-N-propylpropanamide
SMILESCCCN(CC1CC(c2ccc(Cl)c(Cl)c2)=NO1)C(=O)C(C)C
InChIInChI=1S/C17H22Cl2N2O2/c1-4-7-21(17(22)11(2)3)10-13-9-16(20-23-13)12-5-6-14(18)15(19)8-12/h5-6,8,11,13H,4,7,9-10H2,1-3H3
InChIKeyKZQZGZZHNONZSV-UHFFFAOYSA-N
XLogP4.38
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-ethyl-2-methylpropanamide
CID 42669706
N-[[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N,3-dimethylbutanamide
CID 42816043
1-[[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-[(4-fluorophenyl)methyl]-3-propan-2-ylurea
CID 42669740
N-benzyl-N-[[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methoxyacetamide
CID 42815768
1-[[(5S)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-[(2,4-difluorophenyl)methyl]-3-ethylurea
CID 93308079
N-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-fluorophenyl)methyl]-2-methylpropanamide
CID 46137717
(2S)-1-[benzyl-[[(5R)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 98629401
N-[[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 42669719
N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-propylbutanamide
CID 42790209
N-benzyl-N-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylpropanamide
CID 46137735
N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-propylcyclopropanecarboxamide
CID 42815958
N-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(2-fluorophenyl)methyl]-2-methylpropanamide
CID 42815821

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-N-propylpropanamide?
The IUPAC name of N-[[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-N-propylpropanamide (CID 42815804) is N-[[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-N-propylpropanamide.
What is the SMILES notation for N-[[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-N-propylpropanamide?
The canonical SMILES for N-[[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-N-propylpropanamide is CCCN(CC1CC(c2ccc(Cl)c(Cl)c2)=NO1)C(=O)C(C)C.
What is the InChIKey of N-[[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-N-propylpropanamide?
The InChIKey is KZQZGZZHNONZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O2/c1-4-7-21(17(22)11(2)3)10-13-9-16(20-23-13)12-5-6-14(18)15(19)8-12/h5-6,8,11,13H,4,7,9-10H2,1-3H3.
What are the key properties of N-[[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-N-propylpropanamide?
N-[[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-N-propylpropanamide has a molecular weight of 357.28 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-N-propylpropanamide is sourced from PubChem (CID 42815804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).