propan-2-yl 3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate

C18H22N2O4S — CID 134037145

IUPACpropan-2-yl 3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate
SMILESCc1cc(CSc2ccccc2C(=O)NCCC(=O)OC(C)C)on1
InChIInChI=1S/C18H22N2O4S/c1-12(2)23-17(21)8-9-19-18(22)15-6-4-5-7-16(15)25-11-14-10-13(3)20-24-14/h4-7,10,12H,8-9,11H2,1-3H3,(H,19,22)
InChIKeySUNMVNUEFVYOSC-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.35
Rot. Bonds8

About propan-2-yl 3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate

propan-2-yl 3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate (PubChem CID 134037145) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is propan-2-yl 3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate
PubChem CID134037145
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Namepropan-2-yl 3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate
SMILESCc1cc(CSc2ccccc2C(=O)NCCC(=O)OC(C)C)on1
InChIInChI=1S/C18H22N2O4S/c1-12(2)23-17(21)8-9-19-18(22)15-6-4-5-7-16(15)25-11-14-10-13(3)20-24-14/h4-7,10,12H,8-9,11H2,1-3H3,(H,19,22)
InChIKeySUNMVNUEFVYOSC-UHFFFAOYSA-N
XLogP3.35
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,3-diphenylpropyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 134030247
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 55748589
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 51246358
N-(1-hydroxypropan-2-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 110887316
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 51246767
ethyl N-[4-methyl-1-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]pentan-2-yl]carbamate
CID 55654849
2-chloro-N-(2-methoxyethyl)-4-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]benzamide
CID 55878277
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-(3-methylphenyl)benzamide
CID 51246069
N-(4-bromophenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 55433932
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55867348
N-(3,4-dimethoxyphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 51246259
N-(4-amino-3,5-dichlorophenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 55522562

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate?
The IUPAC name of propan-2-yl 3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate (CID 134037145) is propan-2-yl 3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate.
What is the SMILES notation for propan-2-yl 3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate?
The canonical SMILES for propan-2-yl 3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate is Cc1cc(CSc2ccccc2C(=O)NCCC(=O)OC(C)C)on1.
What is the InChIKey of propan-2-yl 3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate?
The InChIKey is SUNMVNUEFVYOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-12(2)23-17(21)8-9-19-18(22)15-6-4-5-7-16(15)25-11-14-10-13(3)20-24-14/h4-7,10,12H,8-9,11H2,1-3H3,(H,19,22).
What are the key properties of propan-2-yl 3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate?
propan-2-yl 3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate has a molecular weight of 362.45 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate is sourced from PubChem (CID 134037145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).