methyl 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoate

C14H17N3O3 — CID 106376452

IUPACmethyl 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoate
SMILESCOC(=O)c1cc(NCc2nc(C)c(C)o2)ccc1N
InChIInChI=1S/C14H17N3O3/c1-8-9(2)20-13(17-8)7-16-10-4-5-12(15)11(6-10)14(18)19-3/h4-6,16H,7,15H2,1-3H3
InChIKeyIZWDZWXCVNYXGM-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.27
Rot. Bonds4

About methyl 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoate

methyl 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoate (PubChem CID 106376452) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoate
PubChem CID106376452
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Namemethyl 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoate
SMILESCOC(=O)c1cc(NCc2nc(C)c(C)o2)ccc1N
InChIInChI=1S/C14H17N3O3/c1-8-9(2)20-13(17-8)7-16-10-4-5-12(15)11(6-10)14(18)19-3/h4-6,16H,7,15H2,1-3H3
InChIKeyIZWDZWXCVNYXGM-UHFFFAOYSA-N
XLogP2.27
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxylate
CID 106376422
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoic acid
CID 114180477
methyl 2-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]benzoate
CID 106039348
4-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline
CID 60972696
methyl 2-amino-5-[(4-cyanophenyl)methylamino]benzoate
CID 62269318
methyl 2-amino-5-[(2,4-difluorophenyl)methylamino]benzoate
CID 62227778
5-amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-4-carboxamide
CID 106376450
methyl 5-(2-acetamidoethylamino)-2-aminobenzoate
CID 61306597
3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzamide
CID 106369913
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethoxy)aniline
CID 60972691
4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoroaniline
CID 54955535
5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide
CID 106368719

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoate?
The IUPAC name of methyl 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoate (CID 106376452) is methyl 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoate.
What is the SMILES notation for methyl 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoate?
The canonical SMILES for methyl 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoate is COC(=O)c1cc(NCc2nc(C)c(C)o2)ccc1N.
What is the InChIKey of methyl 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoate?
The InChIKey is IZWDZWXCVNYXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8-9(2)20-13(17-8)7-16-10-4-5-12(15)11(6-10)14(18)19-3/h4-6,16H,7,15H2,1-3H3.
What are the key properties of methyl 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoate?
methyl 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoate has a molecular weight of 275.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoate is sourced from PubChem (CID 106376452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).