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

C20H23N3O4S — CID 42404234

IUPACN-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(OCc2nc(C(=O)N(C)[C@@H](C)c3nc(C)sc3C)co2)c1
InChIInChI=1S/C20H23N3O4S/c1-12(19-13(2)28-14(3)21-19)23(4)20(24)17-10-27-18(22-17)11-26-16-8-6-7-15(9-16)25-5/h6-10,12H,11H2,1-5H3/t12-/m0/s1
InChIKeyBDWMCEVTKNQNHA-LBPRGKRZSA-N
MW401.49 g/mol
LogP4.17
Rot. Bonds7

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

N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 42404234) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID42404234
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(OCc2nc(C(=O)N(C)[C@@H](C)c3nc(C)sc3C)co2)c1
InChIInChI=1S/C20H23N3O4S/c1-12(19-13(2)28-14(3)21-19)23(4)20(24)17-10-27-18(22-17)11-26-16-8-6-7-15(9-16)25-5/h6-10,12H,11H2,1-5H3/t12-/m0/s1
InChIKeyBDWMCEVTKNQNHA-LBPRGKRZSA-N
XLogP4.17
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.17
H-Bond Donors ≤ 50
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
2-[(3-methoxyphenoxy)methyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3-oxazole-4-carboxamide
CID 42529315
N-[(3-chlorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 25374266
N-[(2S)-1-amino-1-oxopropan-2-yl]-N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide
CID 95218793
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 45252351
2-[(3-methoxyphenoxy)methyl]-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 26403419
2-[(3-methoxyphenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 56701984
N-[(2S)-2-hydroxypropyl]-N-methyl-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide
CID 95209846
2-[(3-methoxyphenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 42147972
2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 56700894
2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-N-propan-2-yl-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 56754794
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 42291343

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 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) is N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide is COc1cccc(OCc2nc(C(=O)N(C)[C@@H](C)c3nc(C)sc3C)co2)c1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is BDWMCEVTKNQNHA-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-12(19-13(2)28-14(3)21-19)23(4)20(24)17-10-27-18(22-17)11-26-16-8-6-7-15(9-16)25-5/h6-10,12H,11H2,1-5H3/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide?
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42404234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).