N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-2-ylmethyl)propanamide

C22H23Cl2N3O3S — CID 43024732

IUPACN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1noc(C)c1CCC(=O)N(CC1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C22H23Cl2N3O3S/c1-13-17(14(2)30-26-13)7-8-21(28)27(11-16-4-3-9-29-16)22-25-20(12-31-22)18-6-5-15(23)10-19(18)24/h5-6,10,12,16H,3-4,7-9,11H2,1-2H3
InChIKeyZFNXKMVDMNAREI-UHFFFAOYSA-N
MW480.42 g/mol
LogP5.87
Rot. Bonds7

About N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-2-ylmethyl)propanamide

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 43024732) has the molecular formula C22H23Cl2N3O3S and a molecular weight of 480.42 g/mol. Its IUPAC name is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID43024732
Molecular FormulaC22H23Cl2N3O3S
Molecular Weight480.42 g/mol
Exact Mass479.08
IUPAC NameN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1noc(C)c1CCC(=O)N(CC1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C22H23Cl2N3O3S/c1-13-17(14(2)30-26-13)7-8-21(28)27(11-16-4-3-9-29-16)22-25-20(12-31-22)18-6-5-15(23)10-19(18)24/h5-6,10,12,16H,3-4,7-9,11H2,1-2H3
InChIKeyZFNXKMVDMNAREI-UHFFFAOYSA-N
XLogP5.87
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.42
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(oxolan-2-ylmethoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 55754212
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 97069352
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 16563094
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 42908551
2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1172683
2-chloro-N-(oxolan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 3173521
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 3189646
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]cyclohexanecarboxamide
CID 1138558
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1176010
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 55532900
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-methoxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30669342
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1176007

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-2-ylmethyl)propanamide (CID 43024732) is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-2-ylmethyl)propanamide is Cc1noc(C)c1CCC(=O)N(CC1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is ZFNXKMVDMNAREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O3S/c1-13-17(14(2)30-26-13)7-8-21(28)27(11-16-4-3-9-29-16)22-25-20(12-31-22)18-6-5-15(23)10-19(18)24/h5-6,10,12,16H,3-4,7-9,11H2,1-2H3.
What are the key properties of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-2-ylmethyl)propanamide?
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 480.42 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 43024732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).