N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]sulfanylacetamide

C17H22N4O3S — CID 51123815

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]sulfanylacetamide
SMILESCc1cc(NC(=O)CSCC(=O)N(Cc2ccccn2)C(C)C)no1
InChIInChI=1S/C17H22N4O3S/c1-12(2)21(9-14-6-4-5-7-18-14)17(23)11-25-10-16(22)19-15-8-13(3)24-20-15/h4-8,12H,9-11H2,1-3H3,(H,19,20,22)
InChIKeyMSWLNVQCTXLHQX-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.49
Rot. Bonds8

About N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]sulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]sulfanylacetamide (PubChem CID 51123815) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]sulfanylacetamide
PubChem CID51123815
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]sulfanylacetamide
SMILESCc1cc(NC(=O)CSCC(=O)N(Cc2ccccn2)C(C)C)no1
InChIInChI=1S/C17H22N4O3S/c1-12(2)21(9-14-6-4-5-7-18-14)17(23)11-25-10-16(22)19-15-8-13(3)24-20-15/h4-8,12H,9-11H2,1-3H3,(H,19,20,22)
InChIKeyMSWLNVQCTXLHQX-UHFFFAOYSA-N
XLogP2.49
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(3-hydroxy-2-pyridinyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30160191
2-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 31146125
2-[furan-2-ylmethyl(pyridin-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 91833759
2-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 31470349
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-pyridin-4-ylacetamide
CID 32921547
N-propan-2-yl-2-pyrazol-1-yl-N-(pyridin-2-ylmethyl)acetamide
CID 51088398
N-(3-methylbutyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 31334149
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[(3R)-3-phenylbutyl]acetamide
CID 52514427
2-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 35615784
2-[2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]phenyl]acetic acid
CID 119218457
benzhydryl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 7466638
2-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 39735396

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]sulfanylacetamide (CID 51123815) is N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]sulfanylacetamide is Cc1cc(NC(=O)CSCC(=O)N(Cc2ccccn2)C(C)C)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]sulfanylacetamide?
The InChIKey is MSWLNVQCTXLHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-12(2)21(9-14-6-4-5-7-18-14)17(23)11-25-10-16(22)19-15-8-13(3)24-20-15/h4-8,12H,9-11H2,1-3H3,(H,19,20,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]sulfanylacetamide has a molecular weight of 362.46 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]sulfanylacetamide is sourced from PubChem (CID 51123815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).