N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

C19H19ClN2O3 — CID 39948526

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(C)c1CCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H19ClN2O3/c1-12-17(13(2)25-22-12)8-10-19(23)21-11-16-7-9-18(24-16)14-3-5-15(20)6-4-14/h3-7,9H,8,10-11H2,1-2H3,(H,21,23)
InChIKeyPSWBTRFOJCZEEO-UHFFFAOYSA-N
MW358.83 g/mol
LogP4.45
Rot. Bonds6

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (PubChem CID 39948526) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
PubChem CID39948526
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(C)c1CCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C19H19ClN2O3/c1-12-17(13(2)25-22-12)8-10-19(23)21-11-16-7-9-18(24-16)14-3-5-15(20)6-4-14/h3-7,9H,8,10-11H2,1-2H3,(H,21,23)
InChIKeyPSWBTRFOJCZEEO-UHFFFAOYSA-N
XLogP4.45
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 18284866
4-(4-acetylpiperazin-1-yl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-oxobutanamide
CID 9480365
2-(4-chloro-3,5-dimethylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
CID 54859110
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
CID 110908981
3-(benzenesulfonyl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propanamide
CID 9021360
ethyl 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]sulfanylacetate
CID 43025865
N-[1-(4-chlorophenyl)cyclobutyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 47071392
N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 9120196
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-6-methylpyridine-3-carboxamide
CID 31121475
N-(2,6-dichlorophenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110651196
2-[4-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide
CID 55381607
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
CID 46614912

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (CID 39948526) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is Cc1noc(C)c1CCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The InChIKey is PSWBTRFOJCZEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-12-17(13(2)25-22-12)8-10-19(23)21-11-16-7-9-18(24-16)14-3-5-15(20)6-4-14/h3-7,9H,8,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide has a molecular weight of 358.83 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 39948526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).