methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(1,2-oxazole-3-carbonyl)amino]propanoate

C19H18N2O4 — CID 70526432

IUPACmethyl (2S)-2-[(2-methylnaphthalen-1-yl)-(1,2-oxazole-3-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)N(C(=O)c1ccon1)c1c(C)ccc2ccccc12
InChIInChI=1S/C19H18N2O4/c1-12-8-9-14-6-4-5-7-15(14)17(12)21(13(2)19(23)24-3)18(22)16-10-11-25-20-16/h4-11,13H,1-3H3/t13-/m0/s1
InChIKeyJUGMTFUPGQXEAL-ZDUSSCGKSA-N
MW338.36 g/mol
LogP3.34
Rot. Bonds4

About methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(1,2-oxazole-3-carbonyl)amino]propanoate

methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(1,2-oxazole-3-carbonyl)amino]propanoate (PubChem CID 70526432) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(1,2-oxazole-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2-methylnaphthalen-1-yl)-(1,2-oxazole-3-carbonyl)amino]propanoate
PubChem CID70526432
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namemethyl (2S)-2-[(2-methylnaphthalen-1-yl)-(1,2-oxazole-3-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)N(C(=O)c1ccon1)c1c(C)ccc2ccccc12
InChIInChI=1S/C19H18N2O4/c1-12-8-9-14-6-4-5-7-15(14)17(12)21(13(2)19(23)24-3)18(22)16-10-11-25-20-16/h4-11,13H,1-3H3/t13-/m0/s1
InChIKeyJUGMTFUPGQXEAL-ZDUSSCGKSA-N
XLogP3.34
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(1,2-oxazole-3-carbonyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(1,2-oxazole-3-carbonyl)amino]propanoate (CID 70526432) is methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(1,2-oxazole-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(1,2-oxazole-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(1,2-oxazole-3-carbonyl)amino]propanoate is COC(=O)[C@H](C)N(C(=O)c1ccon1)c1c(C)ccc2ccccc12.
What is the InChIKey of methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(1,2-oxazole-3-carbonyl)amino]propanoate?
The InChIKey is JUGMTFUPGQXEAL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12-8-9-14-6-4-5-7-15(14)17(12)21(13(2)19(23)24-3)18(22)16-10-11-25-20-16/h4-11,13H,1-3H3/t13-/m0/s1.
What are the key properties of methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(1,2-oxazole-3-carbonyl)amino]propanoate?
methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(1,2-oxazole-3-carbonyl)amino]propanoate has a molecular weight of 338.36 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2-methylnaphthalen-1-yl)-(1,2-oxazole-3-carbonyl)amino]propanoate is sourced from PubChem (CID 70526432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).