methyl (2R)-2-[cyclopropyl-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propanoate

C17H21N3O3 — CID 97007204

IUPACmethyl (2R)-2-[cyclopropyl-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)N(Cc1nnc(-c2cccc(C)c2)o1)C1CC1
InChIInChI=1S/C17H21N3O3/c1-11-5-4-6-13(9-11)16-19-18-15(23-16)10-20(14-7-8-14)12(2)17(21)22-3/h4-6,9,12,14H,7-8,10H2,1-3H3/t12-/m1/s1
InChIKeyDIRASPRZMRHSKX-GFCCVEGCSA-N
MW315.37 g/mol
LogP2.57
Rot. Bonds6

About methyl (2R)-2-[cyclopropyl-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propanoate

methyl (2R)-2-[cyclopropyl-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propanoate (PubChem CID 97007204) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is methyl (2R)-2-[cyclopropyl-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[cyclopropyl-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propanoate
PubChem CID97007204
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Namemethyl (2R)-2-[cyclopropyl-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)N(Cc1nnc(-c2cccc(C)c2)o1)C1CC1
InChIInChI=1S/C17H21N3O3/c1-11-5-4-6-13(9-11)16-19-18-15(23-16)10-20(14-7-8-14)12(2)17(21)22-3/h4-6,9,12,14H,7-8,10H2,1-3H3/t12-/m1/s1
InChIKeyDIRASPRZMRHSKX-GFCCVEGCSA-N
XLogP2.57
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (2R)-2-[cyclopropyl-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propanoate with MolForge

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Related Compounds

methyl (2S)-2-[cyclopropyl-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propanoate
CID 97007203
methyl N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate
CID 110319437
N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide
CID 110319376
N-[(4-fluorophenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 86911631
1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 78825997
N-benzyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 78822942
N-cyclohexyl-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334279
N-methyl-2-(3-methylphenoxy)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 78827666
N-(2-methoxyethyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334282
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 9491145
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-acetamidobenzoate
CID 9015747
2-(4-methoxyphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110319409

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[cyclopropyl-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propanoate?
The IUPAC name of methyl (2R)-2-[cyclopropyl-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propanoate (CID 97007204) is methyl (2R)-2-[cyclopropyl-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[cyclopropyl-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propanoate?
The canonical SMILES for methyl (2R)-2-[cyclopropyl-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propanoate is COC(=O)[C@@H](C)N(Cc1nnc(-c2cccc(C)c2)o1)C1CC1.
What is the InChIKey of methyl (2R)-2-[cyclopropyl-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propanoate?
The InChIKey is DIRASPRZMRHSKX-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-5-4-6-13(9-11)16-19-18-15(23-16)10-20(14-7-8-14)12(2)17(21)22-3/h4-6,9,12,14H,7-8,10H2,1-3H3/t12-/m1/s1.
What are the key properties of methyl (2R)-2-[cyclopropyl-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propanoate?
methyl (2R)-2-[cyclopropyl-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propanoate has a molecular weight of 315.37 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[cyclopropyl-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]propanoate is sourced from PubChem (CID 97007204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).