N-[(5-amino-2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide

C13H15N3O3 — CID 54903114

IUPACN-[(5-amino-2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(N)cc1CNC(=O)c1cnoc1C
InChIInChI=1S/C13H15N3O3/c1-8-11(7-16-19-8)13(17)15-6-9-5-10(14)3-4-12(9)18-2/h3-5,7H,6,14H2,1-2H3,(H,15,17)
InChIKeyTYIBHTFYKQMJLM-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.50
Rot. Bonds4

About N-[(5-amino-2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[(5-amino-2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 54903114) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[(5-amino-2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID54903114
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-[(5-amino-2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(N)cc1CNC(=O)c1cnoc1C
InChIInChI=1S/C13H15N3O3/c1-8-11(7-16-19-8)13(17)15-6-9-5-10(14)3-4-12(9)18-2/h3-5,7H,6,14H2,1-2H3,(H,15,17)
InChIKeyTYIBHTFYKQMJLM-UHFFFAOYSA-N
XLogP1.50
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.50
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

N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682584
N-[(5-amino-2-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 61014823
N-[(5-amino-2-methoxyphenyl)methyl]pyridazine-4-carboxamide
CID 104669190
N-[(5-amino-2-methoxyphenyl)methyl]-4-chloro-2-fluorobenzamide
CID 61014183
4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954314
5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxybenzamide
CID 106032662
5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide
CID 106368719
5-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 61141152
1-[(5-amino-2-methoxyphenyl)methyl]-3-(4-methylphenyl)urea
CID 61014070
N-[(5-amino-2-hydroxyphenyl)methyl]-5-chloro-2-methoxybenzamide
CID 43548657
5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 61103300
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682600

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(5-amino-2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 54903114) is N-[(5-amino-2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(5-amino-2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(5-amino-2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is COc1ccc(N)cc1CNC(=O)c1cnoc1C.
What is the InChIKey of N-[(5-amino-2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is TYIBHTFYKQMJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8-11(7-16-19-8)13(17)15-6-9-5-10(14)3-4-12(9)18-2/h3-5,7H,6,14H2,1-2H3,(H,15,17).
What are the key properties of N-[(5-amino-2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[(5-amino-2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 54903114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).