methyl 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)pentanoate

C14H24N2O3S — CID 106925078

IUPACmethyl 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)pentanoate
SMILESCCCNC(C)(CCCSc1nc(C)co1)C(=O)OC
InChIInChI=1S/C14H24N2O3S/c1-5-8-15-14(3,12(17)18-4)7-6-9-20-13-16-11(2)10-19-13/h10,15H,5-9H2,1-4H3
InChIKeyKOPWSGSNFZBTLE-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.79
Rot. Bonds9

About methyl 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)pentanoate

methyl 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)pentanoate (PubChem CID 106925078) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is methyl 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)pentanoate
PubChem CID106925078
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Namemethyl 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)pentanoate
SMILESCCCNC(C)(CCCSc1nc(C)co1)C(=O)OC
InChIInChI=1S/C14H24N2O3S/c1-5-8-15-14(3,12(17)18-4)7-6-9-20-13-16-11(2)10-19-13/h10,15H,5-9H2,1-4H3
InChIKeyKOPWSGSNFZBTLE-UHFFFAOYSA-N
XLogP2.79
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)hexanamide
CID 106925151
methyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-methyl-2-(propylamino)pentanoate
CID 106925308
methyl 2-methyl-6-(2-methylfuran-3-yl)sulfanyl-2-(propylamino)hexanoate
CID 107782098
2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propan-2-ylamino)hexanoic acid
CID 106925284
methyl 2-methyl-2-(propylamino)octanoate
CID 60796900
2-methyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propylamino)pentanamide
CID 62253671
5-(2,4-dimethylphenyl)sulfanyl-2-methyl-2-(propylamino)pentanoic acid
CID 63465122
methyl 2-(ethylamino)-2-methyl-5-(2-methylfuran-3-yl)sulfanylpentanoate
CID 107782200
N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethyl]butan-1-amine
CID 106925866
2-methyl-2-(methylamino)-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanenitrile
CID 106924710
5-(2,5-dimethylphenyl)sulfanyl-2-methyl-2-(propylamino)pentanoic acid
CID 63464597
ethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 106920837

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)pentanoate?
The IUPAC name of methyl 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)pentanoate (CID 106925078) is methyl 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)pentanoate.
What is the SMILES notation for methyl 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)pentanoate?
The canonical SMILES for methyl 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)pentanoate is CCCNC(C)(CCCSc1nc(C)co1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)pentanoate?
The InChIKey is KOPWSGSNFZBTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-5-8-15-14(3,12(17)18-4)7-6-9-20-13-16-11(2)10-19-13/h10,15H,5-9H2,1-4H3.
What are the key properties of methyl 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)pentanoate?
methyl 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)pentanoate has a molecular weight of 300.42 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propylamino)pentanoate is sourced from PubChem (CID 106925078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).