3-amino-2-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide

C14H17N3O3 — CID 106387458

IUPAC3-amino-2-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
SMILESCOc1c(N)cccc1C(=O)NC(C)c1ncc(C)o1
InChIInChI=1S/C14H17N3O3/c1-8-7-16-14(20-8)9(2)17-13(18)10-5-4-6-11(15)12(10)19-3/h4-7,9H,15H2,1-3H3,(H,17,18)
InChIKeyBHYHTLVOFXCDEK-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.06
Rot. Bonds4

About 3-amino-2-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide

3-amino-2-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide (PubChem CID 106387458) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
PubChem CID106387458
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-amino-2-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
SMILESCOc1c(N)cccc1C(=O)NC(C)c1ncc(C)o1
InChIInChI=1S/C14H17N3O3/c1-8-7-16-14(20-8)9(2)17-13(18)10-5-4-6-11(15)12(10)19-3/h4-7,9H,15H2,1-3H3,(H,17,18)
InChIKeyBHYHTLVOFXCDEK-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
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-amino-4-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 106388368
3-amino-2-methoxy-N-[(1R)-1-phenylethyl]benzamide
CID 107863863
3-amino-2-methoxy-N-[(1S)-1-phenylethyl]benzamide
CID 107863919
6-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-indole-3-carboxamide
CID 106387438
2-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-nitrobenzamide
CID 106551661
2-amino-5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-3-carboxamide
CID 106389722
2-hydroxy-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 103949071
4-amino-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-2-carboxamide
CID 106387400
4-methoxy-N-[(1S)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-2-carboxamide
CID 97260854
6-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2-carboxamide
CID 103950214
3-amino-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 114182522
5-chloro-2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 103949119

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-amino-2-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide (CID 106387458) is 3-amino-2-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-2-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-2-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide is COc1c(N)cccc1C(=O)NC(C)c1ncc(C)o1.
What is the InChIKey of 3-amino-2-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?
The InChIKey is BHYHTLVOFXCDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8-7-16-14(20-8)9(2)17-13(18)10-5-4-6-11(15)12(10)19-3/h4-7,9H,15H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-2-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide?
3-amino-2-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide has a molecular weight of 275.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 106387458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).