3-amino-1-(4,5-dihydro-1,3-benzoxazol-2-ylmethyl)pyridin-2-one

C13H13N3O2 — CID 153402937

IUPAC3-amino-1-(4,5-dihydro-1,3-benzoxazol-2-ylmethyl)pyridin-2-one
SMILESNc1cccn(Cc2nc3c(o2)C=CCC3)c1=O
InChIInChI=1S/C13H13N3O2/c14-9-4-3-7-16(13(9)17)8-12-15-10-5-1-2-6-11(10)18-12/h2-4,6-7H,1,5,8,14H2
InChIKeyDKICLIRZLTVWFT-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.43
Rot. Bonds2

About 3-amino-1-(4,5-dihydro-1,3-benzoxazol-2-ylmethyl)pyridin-2-one

3-amino-1-(4,5-dihydro-1,3-benzoxazol-2-ylmethyl)pyridin-2-one (PubChem CID 153402937) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-amino-1-(4,5-dihydro-1,3-benzoxazol-2-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(4,5-dihydro-1,3-benzoxazol-2-ylmethyl)pyridin-2-one
PubChem CID153402937
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name3-amino-1-(4,5-dihydro-1,3-benzoxazol-2-ylmethyl)pyridin-2-one
SMILESNc1cccn(Cc2nc3c(o2)C=CCC3)c1=O
InChIInChI=1S/C13H13N3O2/c14-9-4-3-7-16(13(9)17)8-12-15-10-5-1-2-6-11(10)18-12/h2-4,6-7H,1,5,8,14H2
InChIKeyDKICLIRZLTVWFT-UHFFFAOYSA-N
XLogP1.43
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-benzoxazol-2-yl]-1,2-dihydropyridin-5-yl]acetamide
CID 162558490
2,5-Dimethyl-4,5-dihydro-1,3-benzoxazole
CID 90363977
2-Methyl-4,5-dihydro-1,3-benzoxazole
CID 123308779
2-Propan-2-yl-4,5-dihydro-1,3-benzoxazole
CID 142442825
Ethane;2-methyl-4,5-dihydro-1,3-benzoxazole
CID 144710586
4-(4,5-dihydro-1,3-benzoxazol-2-yl)-1-N-(3-methoxycyclohexa-1,3-dien-1-yl)cyclohexa-2,4-diene-1,2-diamine
CID 163569965
2-[(2E,4E,6E)-5,8-dimethyl-6-[(Z)-prop-1-enyl]nona-2,4,6,8-tetraen-3-yl]-4,5-dihydro-1,3-benzoxazole
CID 144725263

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4,5-dihydro-1,3-benzoxazol-2-ylmethyl)pyridin-2-one?
The IUPAC name of 3-amino-1-(4,5-dihydro-1,3-benzoxazol-2-ylmethyl)pyridin-2-one (CID 153402937) is 3-amino-1-(4,5-dihydro-1,3-benzoxazol-2-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(4,5-dihydro-1,3-benzoxazol-2-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(4,5-dihydro-1,3-benzoxazol-2-ylmethyl)pyridin-2-one is Nc1cccn(Cc2nc3c(o2)C=CCC3)c1=O.
What is the InChIKey of 3-amino-1-(4,5-dihydro-1,3-benzoxazol-2-ylmethyl)pyridin-2-one?
The InChIKey is DKICLIRZLTVWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-9-4-3-7-16(13(9)17)8-12-15-10-5-1-2-6-11(10)18-12/h2-4,6-7H,1,5,8,14H2.
What are the key properties of 3-amino-1-(4,5-dihydro-1,3-benzoxazol-2-ylmethyl)pyridin-2-one?
3-amino-1-(4,5-dihydro-1,3-benzoxazol-2-ylmethyl)pyridin-2-one has a molecular weight of 243.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4,5-dihydro-1,3-benzoxazol-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 153402937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).