N-[3-[(3R)-3-(2-hydroxy-4-methyloxan-4-yl)-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanamide

C24H40N2O5S — CID 143964909

IUPACN-[3-[(3R)-3-(2-hydroxy-4-methyloxan-4-yl)-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanamide
SMILESC[C@H](C1(C)CCOC(O)C1)C(C)(C)c1cc(NC(=O)C(C)(C)SCCC2CCOC2)on1
InChIInChI=1S/C24H40N2O5S/c1-16(24(6)9-11-30-20(27)14-24)22(2,3)18-13-19(31-26-18)25-21(28)23(4,5)32-12-8-17-7-10-29-15-17/h13,16-17,20,27H,7-12,14-15H2,1-6H3,(H,25,28)/t16-,17?,20?,24?/m0/s1
InChIKeyWHWRWGULNHBYNG-DKOVESSBSA-N
MW468.66 g/mol
LogP4.60
Rot. Bonds9

About N-[3-[(3R)-3-(2-hydroxy-4-methyloxan-4-yl)-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanamide

N-[3-[(3R)-3-(2-hydroxy-4-methyloxan-4-yl)-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanamide (PubChem CID 143964909) has the molecular formula C24H40N2O5S and a molecular weight of 468.66 g/mol. Its IUPAC name is N-[3-[(3R)-3-(2-hydroxy-4-methyloxan-4-yl)-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanamide.

Molecular Properties

Compound NameN-[3-[(3R)-3-(2-hydroxy-4-methyloxan-4-yl)-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanamide
PubChem CID143964909
Molecular FormulaC24H40N2O5S
Molecular Weight468.66 g/mol
Exact Mass468.27
IUPAC NameN-[3-[(3R)-3-(2-hydroxy-4-methyloxan-4-yl)-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanamide
SMILESC[C@H](C1(C)CCOC(O)C1)C(C)(C)c1cc(NC(=O)C(C)(C)SCCC2CCOC2)on1
InChIInChI=1S/C24H40N2O5S/c1-16(24(6)9-11-30-20(27)14-24)22(2,3)18-13-19(31-26-18)25-21(28)23(4,5)32-12-8-17-7-10-29-15-17/h13,16-17,20,27H,7-12,14-15H2,1-6H3,(H,25,28)/t16-,17?,20?,24?/m0/s1
InChIKeyWHWRWGULNHBYNG-DKOVESSBSA-N
XLogP4.60
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.66
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[(3R)-3-(2-hydroxy-4-methyloxan-4-yl)-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfanyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide
CID 143964708
2-methyl-2-(oxan-4-ylsulfanyl)-N-[3-(oxolan-3-yl)-1,2-oxazol-5-yl]propanamide
CID 90801928
2-methyl-N-[3-[(3S)-2-methyl-3-(oxan-3-yloxy)butan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide
CID 59253225
N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methyl-2-(oxan-4-ylmethylsulfonyl)propanamide
CID 45256132
2-methyl-N-[3-[2-methyl-3-(oxan-2-yloxy)butan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide
CID 59253279
2-methyl-N-[3-[2-methyl-3-[(2S)-oxan-2-yl]oxybutan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide
CID 67309167
2-(cyclobutylmethylsulfanyl)-N-(3-cyclobutyl-1,2-oxazol-5-yl)-2-methylpropanamide
CID 71231739
N-[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-ylsulfonyl)cyclobutane-1-carboxamide
CID 54770586
N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-2,2-dimethyl-3-(oxan-4-ylsulfonyl)propanamide
CID 163430822
N-[3-[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-[[(3S)-oxolan-3-yl]methylsulfinyl]propanamide
CID 70896944
2-butan-2-ylsulfanyl-N-[3-(3-hydroxy-2-methylbutan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
CID 91117963
5-hydroxy-3-imino-4,4-dimethyl-N-[2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanoyl]pentanamide
CID 91290764

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-3-(2-hydroxy-4-methyloxan-4-yl)-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanamide?
The IUPAC name of N-[3-[(3R)-3-(2-hydroxy-4-methyloxan-4-yl)-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanamide (CID 143964909) is N-[3-[(3R)-3-(2-hydroxy-4-methyloxan-4-yl)-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanamide.
What is the SMILES notation for N-[3-[(3R)-3-(2-hydroxy-4-methyloxan-4-yl)-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanamide?
The canonical SMILES for N-[3-[(3R)-3-(2-hydroxy-4-methyloxan-4-yl)-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanamide is C[C@H](C1(C)CCOC(O)C1)C(C)(C)c1cc(NC(=O)C(C)(C)SCCC2CCOC2)on1.
What is the InChIKey of N-[3-[(3R)-3-(2-hydroxy-4-methyloxan-4-yl)-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanamide?
The InChIKey is WHWRWGULNHBYNG-DKOVESSBSA-N. The full InChI is InChI=1S/C24H40N2O5S/c1-16(24(6)9-11-30-20(27)14-24)22(2,3)18-13-19(31-26-18)25-21(28)23(4,5)32-12-8-17-7-10-29-15-17/h13,16-17,20,27H,7-12,14-15H2,1-6H3,(H,25,28)/t16-,17?,20?,24?/m0/s1.
What are the key properties of N-[3-[(3R)-3-(2-hydroxy-4-methyloxan-4-yl)-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanamide?
N-[3-[(3R)-3-(2-hydroxy-4-methyloxan-4-yl)-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanamide has a molecular weight of 468.66 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-3-(2-hydroxy-4-methyloxan-4-yl)-2-methylbutan-2-yl]-1,2-oxazol-5-yl]-2-methyl-2-[2-(oxolan-3-yl)ethylsulfanyl]propanamide is sourced from PubChem (CID 143964909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).