methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-4-propan-2-yloxybenzoate

C17H22N2O4 — CID 84588372

IUPACmethyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-4-propan-2-yloxybenzoate
SMILESCCc1cnc(CNc2cc(C(=O)OC)ccc2OC(C)C)o1
InChIInChI=1S/C17H22N2O4/c1-5-13-9-19-16(23-13)10-18-14-8-12(17(20)21-4)6-7-15(14)22-11(2)3/h6-9,11,18H,5,10H2,1-4H3
InChIKeyAVTMJURXAJWBKE-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.42
Rot. Bonds7

About methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-4-propan-2-yloxybenzoate

methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-4-propan-2-yloxybenzoate (PubChem CID 84588372) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-4-propan-2-yloxybenzoate.

Molecular Properties

Compound Namemethyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-4-propan-2-yloxybenzoate
PubChem CID84588372
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Namemethyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-4-propan-2-yloxybenzoate
SMILESCCc1cnc(CNc2cc(C(=O)OC)ccc2OC(C)C)o1
InChIInChI=1S/C17H22N2O4/c1-5-13-9-19-16(23-13)10-18-14-8-12(17(20)21-4)6-7-15(14)22-11(2)3/h6-9,11,18H,5,10H2,1-4H3
InChIKeyAVTMJURXAJWBKE-UHFFFAOYSA-N
XLogP3.42
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-4-propan-2-yloxybenzoate with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzoate
CID 114180877
4-amino-N-ethyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzamide
CID 106369443
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-hydroxy-4-methoxybenzamide
CID 106372869
3-amino-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 106369571
methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-methylpropanoate
CID 106371286
methyl 3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]-4-propan-2-yloxybenzoate
CID 51128239
methyl 4-methyl-3-propan-2-yloxybenzoate
CID 23157412
methyl 3-methyl-4-propan-2-yloxybenzoate
CID 58439062
methyl 3-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]-4-propan-2-yloxybenzoate
CID 75397053
3-[(5-ethylfuran-2-yl)methylamino]-4-methoxybenzoic acid
CID 63742283
methyl 3-[[4-(aminomethyl)benzoyl]amino]-4-propan-2-yloxybenzoate
CID 119303142
methyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-methoxybenzoate
CID 99824042

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-4-propan-2-yloxybenzoate?
The IUPAC name of methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-4-propan-2-yloxybenzoate (CID 84588372) is methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-4-propan-2-yloxybenzoate.
What is the SMILES notation for methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-4-propan-2-yloxybenzoate?
The canonical SMILES for methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-4-propan-2-yloxybenzoate is CCc1cnc(CNc2cc(C(=O)OC)ccc2OC(C)C)o1.
What is the InChIKey of methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-4-propan-2-yloxybenzoate?
The InChIKey is AVTMJURXAJWBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-5-13-9-19-16(23-13)10-18-14-8-12(17(20)21-4)6-7-15(14)22-11(2)3/h6-9,11,18H,5,10H2,1-4H3.
What are the key properties of methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-4-propan-2-yloxybenzoate?
methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-4-propan-2-yloxybenzoate has a molecular weight of 318.37 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-4-propan-2-yloxybenzoate is sourced from PubChem (CID 84588372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).