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

C14H17N3O3 — CID 106368813

IUPAC3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide
SMILESCOc1c(N)cccc1C(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C14H17N3O3/c1-8-9(2)20-12(17-8)7-16-14(18)10-5-4-6-11(15)13(10)19-3/h4-6H,7,15H2,1-3H3,(H,16,18)
InChIKeyXBYKJXUUISJOAX-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.81
Rot. Bonds4

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

3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide (PubChem CID 106368813) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide
PubChem CID106368813
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide
SMILESCOc1c(N)cccc1C(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C14H17N3O3/c1-8-9(2)20-12(17-8)7-16-14(18)10-5-4-6-11(15)13(10)19-3/h4-6H,7,15H2,1-3H3,(H,16,18)
InChIKeyXBYKJXUUISJOAX-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

2-(difluoromethoxy)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methoxybenzamide
CID 86822451
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1H-indole-4-carboxamide
CID 103721276
5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide
CID 106368719
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,6-dihydroxybenzamide
CID 103890358
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47345240
3-amino-N-(cyclopentylmethyl)-2-methoxybenzamide
CID 113386375
3-amino-N-[(2S)-2-hydroxypropyl]-2-methoxybenzamide
CID 107211143
6-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 106368817
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 86822427
3-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840121
2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106371582
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 87043417

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide?
The IUPAC name of 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide (CID 106368813) is 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide.
What is the SMILES notation for 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide?
The canonical SMILES for 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide is COc1c(N)cccc1C(=O)NCc1nc(C)c(C)o1.
What is the InChIKey of 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide?
The InChIKey is XBYKJXUUISJOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8-9(2)20-12(17-8)7-16-14(18)10-5-4-6-11(15)13(10)19-3/h4-6H,7,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide?
3-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 3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 106368813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).