N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide

C19H21N3O4S — CID 45252351

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(OCc2cc(C(=O)NC(C)c3nc(C)sc3C)no2)c1
InChIInChI=1S/C19H21N3O4S/c1-11(18-12(2)27-13(3)21-18)20-19(23)17-9-16(26-22-17)10-25-15-7-5-6-14(8-15)24-4/h5-9,11H,10H2,1-4H3,(H,20,23)
InChIKeyDKIFHFPAGYQDMY-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.83
Rot. Bonds7

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 45252351) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID45252351
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(OCc2cc(C(=O)NC(C)c3nc(C)sc3C)no2)c1
InChIInChI=1S/C19H21N3O4S/c1-11(18-12(2)27-13(3)21-18)20-19(23)17-9-16(26-22-17)10-25-15-7-5-6-14(8-15)24-4/h5-9,11H,10H2,1-4H3,(H,20,23)
InChIKeyDKIFHFPAGYQDMY-UHFFFAOYSA-N
XLogP3.83
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 42403951
N-[(2R)-1-methoxybutan-2-yl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 25449037
5-[(3-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 45202237
5-[(3-methoxyphenoxy)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56715383
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 42404234
methyl (2R)-2-[[5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazole-3-carbonyl]amino]-2-phenylacetate
CID 44542058
N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-5-(phenoxymethyl)-1,2-oxazole-3-carboxamide
CID 42096612
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46087211
N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 125165596
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 56716703
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 29097966
N-[(2R)-1-methoxypropan-2-yl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 42460246

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 45252351) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide is COc1cccc(OCc2cc(C(=O)NC(C)c3nc(C)sc3C)no2)c1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is DKIFHFPAGYQDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-11(18-12(2)27-13(3)21-18)20-19(23)17-9-16(26-22-17)10-25-15-7-5-6-14(8-15)24-4/h5-9,11H,10H2,1-4H3,(H,20,23).
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45252351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).