N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide

C18H17N3O3S — CID 155554345

IUPACN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1cc(C)no1)c1nc(-c2ccccc2OC)cs1
InChIInChI=1S/C18H17N3O3S/c1-4-17(22)21(10-13-9-12(2)20-24-13)18-19-15(11-25-18)14-7-5-6-8-16(14)23-3/h4-9,11H,1,10H2,2-3H3
InChIKeyVAGSGMHXJMOQPE-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.83
Rot. Bonds6

About N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide

N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide (PubChem CID 155554345) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide
PubChem CID155554345
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(Cc1cc(C)no1)c1nc(-c2ccccc2OC)cs1
InChIInChI=1S/C18H17N3O3S/c1-4-17(22)21(10-13-9-12(2)20-24-13)18-19-15(11-25-18)14-7-5-6-8-16(14)23-3/h4-9,11H,1,10H2,2-3H3
InChIKeyVAGSGMHXJMOQPE-UHFFFAOYSA-N
XLogP3.83
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-chloro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide
CID 155539037
N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide
CID 155569650
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8511739
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 9142272
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 24686381
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 155516600
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 155523627
2-chloro-N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
CID 155529864
N-[4-(4-fluoro-2-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide
CID 155560442
3-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 17417565
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 7733308
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 24686240

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide?
The IUPAC name of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide (CID 155554345) is N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide is C=CC(=O)N(Cc1cc(C)no1)c1nc(-c2ccccc2OC)cs1.
What is the InChIKey of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide?
The InChIKey is VAGSGMHXJMOQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-4-17(22)21(10-13-9-12(2)20-24-13)18-19-15(11-25-18)14-7-5-6-8-16(14)23-3/h4-9,11H,1,10H2,2-3H3.
What are the key properties of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide?
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide has a molecular weight of 355.42 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]prop-2-enamide is sourced from PubChem (CID 155554345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).