methyl (2R)-3-[benzyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate

C18H23N3O4 — CID 94799712

IUPACmethyl (2R)-3-[benzyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate
SMILESCOC(=O)[C@H](C)CN(CC(=O)Nc1cc(C)no1)Cc1ccccc1
InChIInChI=1S/C18H23N3O4/c1-13(18(23)24-3)10-21(11-15-7-5-4-6-8-15)12-16(22)19-17-9-14(2)20-25-17/h4-9,13H,10-12H2,1-3H3,(H,19,22)/t13-/m1/s1
InChIKeyOTTNTOJMJRYTDC-CYBMUJFWSA-N
MW345.40 g/mol
LogP2.23
Rot. Bonds8

About methyl (2R)-3-[benzyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate

methyl (2R)-3-[benzyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate (PubChem CID 94799712) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is methyl (2R)-3-[benzyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-[benzyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate
PubChem CID94799712
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Namemethyl (2R)-3-[benzyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate
SMILESCOC(=O)[C@H](C)CN(CC(=O)Nc1cc(C)no1)Cc1ccccc1
InChIInChI=1S/C18H23N3O4/c1-13(18(23)24-3)10-21(11-15-7-5-4-6-8-15)12-16(22)19-17-9-14(2)20-25-17/h4-9,13H,10-12H2,1-3H3,(H,19,22)/t13-/m1/s1
InChIKeyOTTNTOJMJRYTDC-CYBMUJFWSA-N
XLogP2.23
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2R)-3-[benzyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate with MolForge

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Related Compounds

methyl 3-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate
CID 51108186
2-[benzyl(2-hydroxyethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 62115298
3-[ethyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 55123061
methyl (2R)-3-[benzyl-[2-(ethylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoate
CID 94819168
methyl 3-[benzyl-[(4-fluorophenyl)methyl]amino]-2-methylpropanoate
CID 60612566
2-[(4-fluorophenyl)methyl-prop-2-ynylamino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 51097261
methyl 3-[benzyl-[3-(carbamoylamino)-3-oxopropyl]amino]-2-methylpropanoate
CID 51107101
methyl 3-[benzyl(hydroxy)amino]-2-methylpropanoate
CID 13358917
2-[N-(1-hydroxybutan-2-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 111543415
methyl (2S)-3-[benzyl-[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]amino]-2-methylpropanoate
CID 94822704
2-[ethyl(2-hydroxyethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 37097840
methyl (2R)-3-[benzyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-2-methylpropanoate
CID 94797828

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-[benzyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate?
The IUPAC name of methyl (2R)-3-[benzyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate (CID 94799712) is methyl (2R)-3-[benzyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl (2R)-3-[benzyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl (2R)-3-[benzyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate is COC(=O)[C@H](C)CN(CC(=O)Nc1cc(C)no1)Cc1ccccc1.
What is the InChIKey of methyl (2R)-3-[benzyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate?
The InChIKey is OTTNTOJMJRYTDC-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-13(18(23)24-3)10-21(11-15-7-5-4-6-8-15)12-16(22)19-17-9-14(2)20-25-17/h4-9,13H,10-12H2,1-3H3,(H,19,22)/t13-/m1/s1.
What are the key properties of methyl (2R)-3-[benzyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate?
methyl (2R)-3-[benzyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate has a molecular weight of 345.40 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-[benzyl-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]amino]-2-methylpropanoate is sourced from PubChem (CID 94799712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).