N-(1-adamantylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide

C19H28N2O2S — CID 75363682

IUPACN-(1-adamantylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide
SMILESCc1nc(SCC(=O)N(C)CC23CC4CC(CC(C4)C2)C3)oc1C
InChIInChI=1S/C19H28N2O2S/c1-12-13(2)23-18(20-12)24-10-17(22)21(3)11-19-7-14-4-15(8-19)6-16(5-14)9-19/h14-16H,4-11H2,1-3H3
InChIKeyCRXHOAWDFQNSNJ-UHFFFAOYSA-N
MW348.51 g/mol
LogP4.06
Rot. Bonds5

About N-(1-adamantylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide

N-(1-adamantylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide (PubChem CID 75363682) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide
PubChem CID75363682
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC NameN-(1-adamantylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide
SMILESCc1nc(SCC(=O)N(C)CC23CC4CC(CC(C4)C2)C3)oc1C
InChIInChI=1S/C19H28N2O2S/c1-12-13(2)23-18(20-12)24-10-17(22)21(3)11-19-7-14-4-15(8-19)6-16(5-14)9-19/h14-16H,4-11H2,1-3H3
InChIKeyCRXHOAWDFQNSNJ-UHFFFAOYSA-N
XLogP4.06
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(1-adamantylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide (CID 75363682) is N-(1-adamantylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide is Cc1nc(SCC(=O)N(C)CC23CC4CC(CC(C4)C2)C3)oc1C.
What is the InChIKey of N-(1-adamantylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide?
The InChIKey is CRXHOAWDFQNSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-12-13(2)23-18(20-12)24-10-17(22)21(3)11-19-7-14-4-15(8-19)6-16(5-14)9-19/h14-16H,4-11H2,1-3H3.
What are the key properties of N-(1-adamantylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide?
N-(1-adamantylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide has a molecular weight of 348.51 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-methylacetamide is sourced from PubChem (CID 75363682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).