3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide

C18H21N3O2S — CID 125156213

IUPAC3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
SMILESCCC1=NO[C@@H](CNC(=O)c2cccc(-c3nc(C)c(C)s3)c2)C1
InChIInChI=1S/C18H21N3O2S/c1-4-15-9-16(23-21-15)10-19-17(22)13-6-5-7-14(8-13)18-20-11(2)12(3)24-18/h5-8,16H,4,9-10H2,1-3H3,(H,19,22)/t16-/m1/s1
InChIKeyLTJXPGFLEYYBIK-MRXNPFEDSA-N
MW343.45 g/mol
LogP3.71
Rot. Bonds5

About 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide

3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide (PubChem CID 125156213) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
PubChem CID125156213
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
SMILESCCC1=NO[C@@H](CNC(=O)c2cccc(-c3nc(C)c(C)s3)c2)C1
InChIInChI=1S/C18H21N3O2S/c1-4-15-9-16(23-21-15)10-19-17(22)13-6-5-7-14(8-13)18-20-11(2)12(3)24-18/h5-8,16H,4,9-10H2,1-3H3,(H,19,22)/t16-/m1/s1
InChIKeyLTJXPGFLEYYBIK-MRXNPFEDSA-N
XLogP3.71
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 110372204
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(3-methylsulfanylpropyl)benzamide
CID 118788883
N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 95207291
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
CID 50976410
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 125171592
N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 97434585
N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4-phenylbenzamide
CID 45243375
1-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
CID 125172479
6-cyclopropyl-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 118774783
N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 74249294
methyl 3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzoate
CID 79036936
N-[[3-[(3-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 45227430

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
The IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide (CID 125156213) is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide.
What is the SMILES notation for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
The canonical SMILES for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide is CCC1=NO[C@@H](CNC(=O)c2cccc(-c3nc(C)c(C)s3)c2)C1.
What is the InChIKey of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
The InChIKey is LTJXPGFLEYYBIK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-4-15-9-16(23-21-15)10-19-17(22)13-6-5-7-14(8-13)18-20-11(2)12(3)24-18/h5-8,16H,4,9-10H2,1-3H3,(H,19,22)/t16-/m1/s1.
What are the key properties of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide has a molecular weight of 343.45 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide is sourced from PubChem (CID 125156213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).