5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide

C14H13N3O3 — CID 106368573

IUPAC5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1cnc(CNC(=O)c2cc3cc(N)ccc3o2)o1
InChIInChI=1S/C14H13N3O3/c1-8-6-16-13(19-8)7-17-14(18)12-5-9-4-10(15)2-3-11(9)20-12/h2-6H,7,15H2,1H3,(H,17,18)
InChIKeyYXHOIYFQLWQENW-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.24
Rot. Bonds3

About 5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide

5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 106368573) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID106368573
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1cnc(CNC(=O)c2cc3cc(N)ccc3o2)o1
InChIInChI=1S/C14H13N3O3/c1-8-6-16-13(19-8)7-17-14(18)12-5-9-4-10(15)2-3-11(9)20-12/h2-6H,7,15H2,1H3,(H,17,18)
InChIKeyYXHOIYFQLWQENW-UHFFFAOYSA-N
XLogP2.24
TPSA94.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.24
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-N-[(6-methyl-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 62995244
5-amino-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 62321760
5-amino-2-bromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106368587
5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]-1-benzofuran-2-carboxylic acid
CID 106373614
5-amino-N-benzyl-1-benzofuran-2-carboxamide
CID 61089712
5-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]furan-2-carboxamide
CID 103811606
3-(4-aminophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106368624
5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 81170503
5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 107211116
2-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106377528
5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide
CID 64571210
5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102903170

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide (CID 106368573) is 5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide is Cc1cnc(CNC(=O)c2cc3cc(N)ccc3o2)o1.
What is the InChIKey of 5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is YXHOIYFQLWQENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-8-6-16-13(19-8)7-17-14(18)12-5-9-4-10(15)2-3-11(9)20-12/h2-6H,7,15H2,1H3,(H,17,18).
What are the key properties of 5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 106368573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).