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

C14H17N3O3 — CID 106368719

IUPAC5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C14H17N3O3/c1-8-9(2)20-13(17-8)7-16-14(18)11-6-10(15)4-5-12(11)19-3/h4-6H,7,15H2,1-3H3,(H,16,18)
InChIKeyLAOLUAGVQNXJFZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.81
Rot. Bonds4

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

5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide (PubChem CID 106368719) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide
PubChem CID106368719
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C14H17N3O3/c1-8-9(2)20-13(17-8)7-16-14(18)11-6-10(15)4-5-12(11)19-3/h4-6H,7,15H2,1-3H3,(H,16,18)
InChIKeyLAOLUAGVQNXJFZ-UHFFFAOYSA-N
XLogP1.81
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 61141152
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 87043417
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide
CID 106368813
5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 61103300
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide
CID 87043362
5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63830021
5-amino-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 63304703
5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 107229452
5-amino-N-(furan-3-ylmethyl)-2-methoxybenzamide
CID 113228275
5-amino-2-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 61093193
5-amino-N-[(4-bromophenyl)methyl]-2-methoxybenzamide
CID 61090611
2-amino-5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide
CID 106377371

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide?
The IUPAC name of 5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide (CID 106368719) is 5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide?
The canonical SMILES for 5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide is COc1ccc(N)cc1C(=O)NCc1nc(C)c(C)o1.
What is the InChIKey of 5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide?
The InChIKey is LAOLUAGVQNXJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8-9(2)20-13(17-8)7-16-14(18)11-6-10(15)4-5-12(11)19-3/h4-6H,7,15H2,1-3H3,(H,16,18).
What are the key properties of 5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide?
5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide has a molecular weight of 275.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 106368719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).