N,N,2-trimethyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-4,5-dihydro-1,2-oxazol-3-yl]propanamide

C18H31N3O6S — CID 89078392

IUPACN,N,2-trimethyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-4,5-dihydro-1,2-oxazol-3-yl]propanamide
SMILESCN(C)C(=O)C(C)(C)C1=NOC(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)C1
InChIInChI=1S/C18H31N3O6S/c1-17(2,16(23)21(5)6)13-11-14(27-20-13)19-15(22)18(3,4)28(24,25)12-7-9-26-10-8-12/h12,14H,7-11H2,1-6H3,(H,19,22)
InChIKeyCSQWWOBCJAGMDQ-UHFFFAOYSA-N
MW417.53 g/mol
LogP0.69
Rot. Bonds6

About N,N,2-trimethyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-4,5-dihydro-1,2-oxazol-3-yl]propanamide

N,N,2-trimethyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-4,5-dihydro-1,2-oxazol-3-yl]propanamide (PubChem CID 89078392) has the molecular formula C18H31N3O6S and a molecular weight of 417.53 g/mol. Its IUPAC name is N,N,2-trimethyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-4,5-dihydro-1,2-oxazol-3-yl]propanamide.

Molecular Properties

Compound NameN,N,2-trimethyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-4,5-dihydro-1,2-oxazol-3-yl]propanamide
PubChem CID89078392
Molecular FormulaC18H31N3O6S
Molecular Weight417.53 g/mol
Exact Mass417.19
IUPAC NameN,N,2-trimethyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-4,5-dihydro-1,2-oxazol-3-yl]propanamide
SMILESCN(C)C(=O)C(C)(C)C1=NOC(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)C1
InChIInChI=1S/C18H31N3O6S/c1-17(2,16(23)21(5)6)13-11-14(27-20-13)19-15(22)18(3,4)28(24,25)12-7-9-26-10-8-12/h12,14H,7-11H2,1-6H3,(H,19,22)
InChIKeyCSQWWOBCJAGMDQ-UHFFFAOYSA-N
XLogP0.69
TPSA114.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-methyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-1,2-oxazol-3-yl]propanoate
CID 56603323
2-methyl-2-(oxan-4-ylsulfonyl)-N-[2-(1,3-oxazol-2-yl)-4H-imidazol-5-yl]propanamide
CID 58201695
2-methyl-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-(oxan-4-ylsulfonyl)propanamide
CID 58561999
N,2-dimethyl-3-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-1,2-oxazol-3-yl]propanamide
CID 67309679
3-amino-5-hydroxy-4,4-dimethyl-N-[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]pent-2-enamide
CID 147091244
2-methyl-2-[methyl(oxan-4-yl)amino]-N-[3-[1-(oxan-2-yloxymethyl)cyclopentyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
CID 88998631
N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide
CID 45256135
2-bromo-2-methyl-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
CID 88998630
N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide;molecular hydrogen
CID 143965057
2,2-dimethyl-3-(oxan-4-ylamino)-3-oxopropanoic acid
CID 82821366
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

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-4,5-dihydro-1,2-oxazol-3-yl]propanamide?
The IUPAC name of N,N,2-trimethyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-4,5-dihydro-1,2-oxazol-3-yl]propanamide (CID 89078392) is N,N,2-trimethyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-4,5-dihydro-1,2-oxazol-3-yl]propanamide.
What is the SMILES notation for N,N,2-trimethyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-4,5-dihydro-1,2-oxazol-3-yl]propanamide?
The canonical SMILES for N,N,2-trimethyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-4,5-dihydro-1,2-oxazol-3-yl]propanamide is CN(C)C(=O)C(C)(C)C1=NOC(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)C1.
What is the InChIKey of N,N,2-trimethyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-4,5-dihydro-1,2-oxazol-3-yl]propanamide?
The InChIKey is CSQWWOBCJAGMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O6S/c1-17(2,16(23)21(5)6)13-11-14(27-20-13)19-15(22)18(3,4)28(24,25)12-7-9-26-10-8-12/h12,14H,7-11H2,1-6H3,(H,19,22).
What are the key properties of N,N,2-trimethyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-4,5-dihydro-1,2-oxazol-3-yl]propanamide?
N,N,2-trimethyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-4,5-dihydro-1,2-oxazol-3-yl]propanamide has a molecular weight of 417.53 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-2-[5-[[2-methyl-2-(oxan-4-ylsulfonyl)propanoyl]amino]-4,5-dihydro-1,2-oxazol-3-yl]propanamide is sourced from PubChem (CID 89078392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).