3-[(pyridin-2-ylamino)methyl]-1,3-benzoxazol-2-one

C13H11N3O2 — CID 4093318

IUPAC3-[(pyridin-2-ylamino)methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CNc1ccccn1
InChIInChI=1S/C13H11N3O2/c17-13-16(9-15-12-7-3-4-8-14-12)10-5-1-2-6-11(10)18-13/h1-8H,9H2,(H,14,15)
InChIKeyNNZVPGBJUVLTPB-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.06
Rot. Bonds3

About 3-[(pyridin-2-ylamino)methyl]-1,3-benzoxazol-2-one

3-[(pyridin-2-ylamino)methyl]-1,3-benzoxazol-2-one (PubChem CID 4093318) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-[(pyridin-2-ylamino)methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[(pyridin-2-ylamino)methyl]-1,3-benzoxazol-2-one
PubChem CID4093318
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name3-[(pyridin-2-ylamino)methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CNc1ccccn1
InChIInChI=1S/C13H11N3O2/c17-13-16(9-15-12-7-3-4-8-14-12)10-5-1-2-6-11(10)18-13/h1-8H,9H2,(H,14,15)
InChIKeyNNZVPGBJUVLTPB-UHFFFAOYSA-N
XLogP2.06
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-chloro-3-pyridinyl)methyl]-1,3-benzoxazol-2-one
CID 62470052
2-[5-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]-N-pyridin-2-ylacetamide
CID 82357308
3-[[6-(propylamino)-3-pyridinyl]methyl]-1,3-benzoxazol-2-one
CID 62208505
N-(5-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 60519288
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 48507067
3-[[6-(propylamino)-2-pyridinyl]methyl]-1,3-benzoxazol-2-one
CID 79231510
3-[2-oxo-2-[(2R)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 95862581
3-[2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 70723414
N-(3-hydroxy-2-pyridinyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 30161577
1-[3-[2-(dimethylamino)ethyl]-2-oxo-1,3-benzoxazol-5-yl]-3-pyridin-2-ylurea
CID 51099669
2-methyl-2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 61262096
3-[2-[(tert-butylamino)methyl]prop-2-enyl]-1,3-benzoxazol-2-one
CID 103071721

Frequently Asked Questions

What is the IUPAC name of 3-[(pyridin-2-ylamino)methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[(pyridin-2-ylamino)methyl]-1,3-benzoxazol-2-one (CID 4093318) is 3-[(pyridin-2-ylamino)methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[(pyridin-2-ylamino)methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[(pyridin-2-ylamino)methyl]-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1CNc1ccccn1.
What is the InChIKey of 3-[(pyridin-2-ylamino)methyl]-1,3-benzoxazol-2-one?
The InChIKey is NNZVPGBJUVLTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-13-16(9-15-12-7-3-4-8-14-12)10-5-1-2-6-11(10)18-13/h1-8H,9H2,(H,14,15).
What are the key properties of 3-[(pyridin-2-ylamino)methyl]-1,3-benzoxazol-2-one?
3-[(pyridin-2-ylamino)methyl]-1,3-benzoxazol-2-one has a molecular weight of 241.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(pyridin-2-ylamino)methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 4093318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).