2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylpropanoic acid

C15H18N2O3S — CID 106925188

IUPAC2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylpropanoic acid
SMILESCCNC(CSc1nc(C)co1)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H18N2O3S/c1-3-16-15(13(18)19,12-7-5-4-6-8-12)10-21-14-17-11(2)9-20-14/h4-9,16H,3,10H2,1-2H3,(H,18,19)
InChIKeyUOOJFUUMUUTWTC-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.66
Rot. Bonds7

About 2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylpropanoic acid

2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylpropanoic acid (PubChem CID 106925188) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylpropanoic acid
PubChem CID106925188
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylpropanoic acid
SMILESCCNC(CSc1nc(C)co1)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H18N2O3S/c1-3-16-15(13(18)19,12-7-5-4-6-8-12)10-21-14-17-11(2)9-20-14/h4-9,16H,3,10H2,1-2H3,(H,18,19)
InChIKeyUOOJFUUMUUTWTC-UHFFFAOYSA-N
XLogP2.66
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoic acid
CID 106925128
2-cyclopropyl-2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106925112
2-(ethylamino)-4-methyl-2-phenylpentanoic acid
CID 43753793
2-(methylamino)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-phenylpropanoic acid
CID 62255455
2-(ethylamino)-2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentanoic acid
CID 106925088
2-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]phenyl]acetohydrazide
CID 106926255
2-(ethylamino)-4-(2-methylpropylsulfanyl)-2-phenylbutanoic acid
CID 116694462
2-methyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-(propan-2-ylamino)hexanoic acid
CID 106925284
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexanoic acid
CID 106920818
2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanoic acid
CID 106925024
2-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]but-2-enoic acid
CID 106920850
3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic acid
CID 62140295

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylpropanoic acid?
The IUPAC name of 2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylpropanoic acid (CID 106925188) is 2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylpropanoic acid.
What is the SMILES notation for 2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylpropanoic acid?
The canonical SMILES for 2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylpropanoic acid is CCNC(CSc1nc(C)co1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylpropanoic acid?
The InChIKey is UOOJFUUMUUTWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-16-15(13(18)19,12-7-5-4-6-8-12)10-21-14-17-11(2)9-20-14/h4-9,16H,3,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylpropanoic acid?
2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylpropanoic acid has a molecular weight of 306.39 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylpropanoic acid is sourced from PubChem (CID 106925188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).