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

C19H21N3O4S — CID 42403951

IUPACN-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(OCc2nc(C(=O)N[C@@H](C)c3nc(C)sc3C)co2)c1
InChIInChI=1S/C19H21N3O4S/c1-11(18-12(2)27-13(3)21-18)20-19(23)16-9-26-17(22-16)10-25-15-7-5-6-14(8-15)24-4/h5-9,11H,10H2,1-4H3,(H,20,23)/t11-/m0/s1
InChIKeySIWPAQDABAOHFU-NSHDSACASA-N
MW387.46 g/mol
LogP3.83
Rot. Bonds7

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

N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 42403951) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)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]-1,3-oxazole-4-carboxamide
PubChem CID42403951
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(OCc2nc(C(=O)N[C@@H](C)c3nc(C)sc3C)co2)c1
InChIInChI=1S/C19H21N3O4S/c1-11(18-12(2)27-13(3)21-18)20-19(23)16-9-26-17(22-16)10-25-15-7-5-6-14(8-15)24-4/h5-9,11H,10H2,1-4H3,(H,20,23)/t11-/m0/s1
InChIKeySIWPAQDABAOHFU-NSHDSACASA-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-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 45252351
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
2-[(3-methoxyphenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 42147972
2-[(4-methoxyphenoxy)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 42526219
2-[(3-methoxyphenoxy)methyl]-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 26403419
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 56757502
N-[1-(1H-imidazol-2-yl)ethyl]-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazole-4-carboxamide
CID 56708149
methyl (2S)-2-[[2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carbonyl]amino]-2-phenylacetate
CID 44542360
N-[(1R)-1-(1H-imidazol-2-yl)ethyl]-2-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,3-oxazole-4-carboxamide
CID 95221880
2-[(3-fluorophenoxy)methyl]-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 95205239
2-[(3-methoxyphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42289594
N-[(2S)-1-hydroxybutan-2-yl]-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 56709380

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]-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]-1,3-oxazole-4-carboxamide (CID 42403951) is N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)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]-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]-1,3-oxazole-4-carboxamide is COc1cccc(OCc2nc(C(=O)N[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]-1,3-oxazole-4-carboxamide?
The InChIKey is SIWPAQDABAOHFU-NSHDSACASA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-11(18-12(2)27-13(3)21-18)20-19(23)16-9-26-17(22-16)10-25-15-7-5-6-14(8-15)24-4/h5-9,11H,10H2,1-4H3,(H,20,23)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide?
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]-1,3-oxazole-4-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-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42403951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).