3-[[6-(propylamino)-2-pyridinyl]methyl]-1,3-benzoxazol-2-one

C16H17N3O2 — CID 79231510

IUPAC3-[[6-(propylamino)-2-pyridinyl]methyl]-1,3-benzoxazol-2-one
SMILESCCCNc1cccc(Cn2c(=O)oc3ccccc32)n1
InChIInChI=1S/C16H17N3O2/c1-2-10-17-15-9-5-6-12(18-15)11-19-13-7-3-4-8-14(13)21-16(19)20/h3-9H,2,10-11H2,1H3,(H,17,18)
InChIKeyGXWULJJLCLLRCJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.86
Rot. Bonds5

About 3-[[6-(propylamino)-2-pyridinyl]methyl]-1,3-benzoxazol-2-one

3-[[6-(propylamino)-2-pyridinyl]methyl]-1,3-benzoxazol-2-one (PubChem CID 79231510) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[[6-(propylamino)-2-pyridinyl]methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[[6-(propylamino)-2-pyridinyl]methyl]-1,3-benzoxazol-2-one
PubChem CID79231510
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-[[6-(propylamino)-2-pyridinyl]methyl]-1,3-benzoxazol-2-one
SMILESCCCNc1cccc(Cn2c(=O)oc3ccccc32)n1
InChIInChI=1S/C16H17N3O2/c1-2-10-17-15-9-5-6-12(18-15)11-19-13-7-3-4-8-14(13)21-16(19)20/h3-9H,2,10-11H2,1H3,(H,17,18)
InChIKeyGXWULJJLCLLRCJ-UHFFFAOYSA-N
XLogP2.86
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[6-(propylamino)-3-pyridinyl]methyl]-1,3-benzoxazol-2-one
CID 62208505
N-propyl-6-(pyrazol-1-ylmethyl)pyridin-2-amine
CID 79232077
1-[[6-(propylamino)-2-pyridinyl]methyl]-1,4-diazepan-5-one
CID 79232293
6-(1,4-oxazepan-4-ylmethyl)-N-propylpyridin-2-amine
CID 79231488
3-[2-(butylamino)ethyl]-1,3-benzoxazol-2-one
CID 60765754
3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-benzoxazol-2-one
CID 55046530
1-[4-[[6-(propylamino)-2-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 79234151
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzoxazol-2-one
CID 17451250
3-methyl-4-[[6-(propylamino)-2-pyridinyl]methyl]piperazine-2,6-dione
CID 79233937
6-[(3,3-dimethylmorpholin-4-yl)methyl]-N-propylpyridin-2-amine
CID 79242954
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1,3-benzoxazol-2-one
CID 80664476

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(propylamino)-2-pyridinyl]methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[[6-(propylamino)-2-pyridinyl]methyl]-1,3-benzoxazol-2-one (CID 79231510) is 3-[[6-(propylamino)-2-pyridinyl]methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[[6-(propylamino)-2-pyridinyl]methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[[6-(propylamino)-2-pyridinyl]methyl]-1,3-benzoxazol-2-one is CCCNc1cccc(Cn2c(=O)oc3ccccc32)n1.
What is the InChIKey of 3-[[6-(propylamino)-2-pyridinyl]methyl]-1,3-benzoxazol-2-one?
The InChIKey is GXWULJJLCLLRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-10-17-15-9-5-6-12(18-15)11-19-13-7-3-4-8-14(13)21-16(19)20/h3-9H,2,10-11H2,1H3,(H,17,18).
What are the key properties of 3-[[6-(propylamino)-2-pyridinyl]methyl]-1,3-benzoxazol-2-one?
3-[[6-(propylamino)-2-pyridinyl]methyl]-1,3-benzoxazol-2-one has a molecular weight of 283.33 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(propylamino)-2-pyridinyl]methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 79231510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).