2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N,N-bis(2-methylpropyl)acetamide

C16H28N2O2S — CID 84603513

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N,N-bis(2-methylpropyl)acetamide
SMILESCc1noc(C)c1CSCC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C16H28N2O2S/c1-11(2)7-18(8-12(3)4)16(19)10-21-9-15-13(5)17-20-14(15)6/h11-12H,7-10H2,1-6H3
InChIKeyNBWCTSDFOPMKTH-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.67
Rot. Bonds8

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N,N-bis(2-methylpropyl)acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N,N-bis(2-methylpropyl)acetamide (PubChem CID 84603513) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N,N-bis(2-methylpropyl)acetamide
PubChem CID84603513
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N,N-bis(2-methylpropyl)acetamide
SMILESCc1noc(C)c1CSCC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C16H28N2O2S/c1-11(2)7-18(8-12(3)4)16(19)10-21-9-15-13(5)17-20-14(15)6/h11-12H,7-10H2,1-6H3
InChIKeyNBWCTSDFOPMKTH-UHFFFAOYSA-N
XLogP3.67
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetic acid
CID 2106598
(2S)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-4-methylpentanoic acid
CID 61136408
(2R)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-4-methylpentanoic acid
CID 78975778
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)acetamide
CID 78847325
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethylacetamide
CID 60623814
N-(1-amino-2,4-dimethylpentan-2-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide;hydrochloride
CID 119597392
N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18105931
3-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-2-methylpropanoic acid
CID 62674245
N-tert-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 51139661
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 86906521
2-[1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]azetidin-3-yl]propanoic acid
CID 116681430
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-hydroxy-2,3-dimethylbutyl)acetamide
CID 111484487

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N,N-bis(2-methylpropyl)acetamide (CID 84603513) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N,N-bis(2-methylpropyl)acetamide is Cc1noc(C)c1CSCC(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is NBWCTSDFOPMKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-11(2)7-18(8-12(3)4)16(19)10-21-9-15-13(5)17-20-14(15)6/h11-12H,7-10H2,1-6H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N,N-bis(2-methylpropyl)acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 312.48 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 84603513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).