3-[[4-(propylamino)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one

C12H17N3O2 — CID 79251550

IUPAC3-[[4-(propylamino)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one
SMILESCCCNc1ccnc(CN2CCOC2=O)c1
InChIInChI=1S/C12H17N3O2/c1-2-4-13-10-3-5-14-11(8-10)9-15-6-7-17-12(15)16/h3,5,8H,2,4,6-7,9H2,1H3,(H,13,14)
InChIKeyLJRPZPXSQZEMOM-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.86
Rot. Bonds5

About 3-[[4-(propylamino)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one

3-[[4-(propylamino)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 79251550) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[[4-(propylamino)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[4-(propylamino)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one
PubChem CID79251550
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[[4-(propylamino)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one
SMILESCCCNc1ccnc(CN2CCOC2=O)c1
InChIInChI=1S/C12H17N3O2/c1-2-4-13-10-3-5-14-11(8-10)9-15-6-7-17-12(15)16/h3,5,8H,2,4,6-7,9H2,1H3,(H,13,14)
InChIKeyLJRPZPXSQZEMOM-UHFFFAOYSA-N
XLogP1.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[4-(propylamino)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

1-methyl-4-[[4-(propylamino)-2-pyridinyl]methyl]piperazine-2,5-dione
CID 79941396
2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-4-carboxylic acid
CID 114324862
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-propylpyridin-4-amine
CID 79245125
2-[(4-tert-butylpiperazin-1-yl)methyl]-N-propylpyridin-4-amine
CID 79245524
2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-propylpyridin-4-amine
CID 102886364
2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine
CID 79250929
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-propylpyridin-4-amine
CID 79244278
4,5-dimethyl-2-[[4-(propylamino)-2-pyridinyl]methyl]-1H-pyridazine-3,6-dione
CID 79244748
N,N,N'-trimethyl-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine
CID 79250847
2-[(3-methylpyrazol-1-yl)methyl]-N-propylpyridin-4-amine
CID 79251814
5-bromo-6-methyl-3-[[4-(propylamino)-2-pyridinyl]methyl]pyrimidin-4-one
CID 79251061
1-[[4-(propylamino)-2-pyridinyl]methyl]piperidine-2-carboxamide
CID 79245250

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(propylamino)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[4-(propylamino)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one (CID 79251550) is 3-[[4-(propylamino)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[4-(propylamino)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[4-(propylamino)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one is CCCNc1ccnc(CN2CCOC2=O)c1.
What is the InChIKey of 3-[[4-(propylamino)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is LJRPZPXSQZEMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-4-13-10-3-5-14-11(8-10)9-15-6-7-17-12(15)16/h3,5,8H,2,4,6-7,9H2,1H3,(H,13,14).
What are the key properties of 3-[[4-(propylamino)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one?
3-[[4-(propylamino)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 235.29 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(propylamino)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 79251550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).