methyl 4-[2-[[2-hydroxy-2-(4-methyl-1,3-oxazol-5-yl)ethyl]amino]propyl]benzoate

C17H22N2O4 — CID 14076230

IUPACmethyl 4-[2-[[2-hydroxy-2-(4-methyl-1,3-oxazol-5-yl)ethyl]amino]propyl]benzoate
SMILESCOC(=O)c1ccc(CC(C)NCC(O)c2ocnc2C)cc1
InChIInChI=1S/C17H22N2O4/c1-11(18-9-15(20)16-12(2)19-10-23-16)8-13-4-6-14(7-5-13)17(21)22-3/h4-7,10-11,15,18,20H,8-9H2,1-3H3
InChIKeyNFHNJCJTJCHCSY-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.02
Rot. Bonds7

About methyl 4-[2-[[2-hydroxy-2-(4-methyl-1,3-oxazol-5-yl)ethyl]amino]propyl]benzoate

methyl 4-[2-[[2-hydroxy-2-(4-methyl-1,3-oxazol-5-yl)ethyl]amino]propyl]benzoate (PubChem CID 14076230) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is methyl 4-[2-[[2-hydroxy-2-(4-methyl-1,3-oxazol-5-yl)ethyl]amino]propyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[[2-hydroxy-2-(4-methyl-1,3-oxazol-5-yl)ethyl]amino]propyl]benzoate
PubChem CID14076230
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Namemethyl 4-[2-[[2-hydroxy-2-(4-methyl-1,3-oxazol-5-yl)ethyl]amino]propyl]benzoate
SMILESCOC(=O)c1ccc(CC(C)NCC(O)c2ocnc2C)cc1
InChIInChI=1S/C17H22N2O4/c1-11(18-9-15(20)16-12(2)19-10-23-16)8-13-4-6-14(7-5-13)17(21)22-3/h4-7,10-11,15,18,20H,8-9H2,1-3H3
InChIKeyNFHNJCJTJCHCSY-UHFFFAOYSA-N
XLogP2.02
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[2-[[2-hydroxy-2-(4-methyl-1,3-oxazol-5-yl)ethyl]amino]propyl]benzoate with MolForge

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Related Compounds

methyl 4-[2-[[(2R)-2-(2-benzofuran-1-yl)-2-hydroxyethyl]amino]propyl]benzoate
CID 70545400
methyl 4-[(2S)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]benzoate
CID 22823728
methyl 4-[2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]propyl]benzoate
CID 44522671
methyl 4-[2-[[2-hydroxy-2-(3-iodophenyl)ethyl]amino]propyl]benzoate
CID 44522721
methyl 4-[2-[[2-(1-benzofuran-2-yl)-2-hydroxyethyl]amino]propyl]benzoate
CID 12816504
methyl 4-[(2R)-2-[[(2R)-2-(1-benzofuran-2-yl)-2-hydroxyethyl]amino]propyl]benzoate;hydrochloride
CID 22821087
methyl 4-[2-[[2-(2-acetamido-1,3-thiazol-4-yl)-2-hydroxyethyl]amino]propyl]benzoate
CID 14076224
methyl 4-[2-[[2-(5-bromo-1-benzofuran-2-yl)-2-hydroxyethyl]amino]propyl]benzoate
CID 20531267
methyl 4-[(2R)-2-aminopropyl]benzoate
CID 22823241
methyl 4-(2-methoxypropyl)benzoate
CID 57294671
methyl 4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]benzoate
CID 61473251
methyl 5-[[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]methyl]furan-2-carboxylate
CID 19874519

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[[2-hydroxy-2-(4-methyl-1,3-oxazol-5-yl)ethyl]amino]propyl]benzoate?
The IUPAC name of methyl 4-[2-[[2-hydroxy-2-(4-methyl-1,3-oxazol-5-yl)ethyl]amino]propyl]benzoate (CID 14076230) is methyl 4-[2-[[2-hydroxy-2-(4-methyl-1,3-oxazol-5-yl)ethyl]amino]propyl]benzoate.
What is the SMILES notation for methyl 4-[2-[[2-hydroxy-2-(4-methyl-1,3-oxazol-5-yl)ethyl]amino]propyl]benzoate?
The canonical SMILES for methyl 4-[2-[[2-hydroxy-2-(4-methyl-1,3-oxazol-5-yl)ethyl]amino]propyl]benzoate is COC(=O)c1ccc(CC(C)NCC(O)c2ocnc2C)cc1.
What is the InChIKey of methyl 4-[2-[[2-hydroxy-2-(4-methyl-1,3-oxazol-5-yl)ethyl]amino]propyl]benzoate?
The InChIKey is NFHNJCJTJCHCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-11(18-9-15(20)16-12(2)19-10-23-16)8-13-4-6-14(7-5-13)17(21)22-3/h4-7,10-11,15,18,20H,8-9H2,1-3H3.
What are the key properties of methyl 4-[2-[[2-hydroxy-2-(4-methyl-1,3-oxazol-5-yl)ethyl]amino]propyl]benzoate?
methyl 4-[2-[[2-hydroxy-2-(4-methyl-1,3-oxazol-5-yl)ethyl]amino]propyl]benzoate has a molecular weight of 318.37 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[[2-hydroxy-2-(4-methyl-1,3-oxazol-5-yl)ethyl]amino]propyl]benzoate is sourced from PubChem (CID 14076230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).