3-(4,7-dihydro-1,3-benzoxazol-2-ylmethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one

C16H19N3O2 — CID 139907422

IUPAC3-(4,7-dihydro-1,3-benzoxazol-2-ylmethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
SMILESCCc1cc(NCc2nc3c(o2)CC=CC3)c(=O)[nH]c1C
InChIInChI=1S/C16H19N3O2/c1-3-11-8-13(16(20)18-10(11)2)17-9-15-19-12-6-4-5-7-14(12)21-15/h4-5,8,17H,3,6-7,9H2,1-2H3,(H,18,20)
InChIKeyZOPDHBUJZABKDY-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.50
Rot. Bonds4

About 3-(4,7-dihydro-1,3-benzoxazol-2-ylmethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one

3-(4,7-dihydro-1,3-benzoxazol-2-ylmethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one (PubChem CID 139907422) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-(4,7-dihydro-1,3-benzoxazol-2-ylmethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(4,7-dihydro-1,3-benzoxazol-2-ylmethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
PubChem CID139907422
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-(4,7-dihydro-1,3-benzoxazol-2-ylmethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
SMILESCCc1cc(NCc2nc3c(o2)CC=CC3)c(=O)[nH]c1C
InChIInChI=1S/C16H19N3O2/c1-3-11-8-13(16(20)18-10(11)2)17-9-15-19-12-6-4-5-7-14(12)21-15/h4-5,8,17H,3,6-7,9H2,1-2H3,(H,18,20)
InChIKeyZOPDHBUJZABKDY-UHFFFAOYSA-N
XLogP2.50
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(((4,5,6,7-Tetrahydro-2-benzoxazolyl)methyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one
CID 454386
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
5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 106370683
(E)-N-[3-(2-Tert-butyl-4-methyl-1,3-oxazol-5-yl)propyl]-4-(dimethylamino)but-2-enamide
CID 146098473

Frequently Asked Questions

What is the IUPAC name of 3-(4,7-dihydro-1,3-benzoxazol-2-ylmethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(4,7-dihydro-1,3-benzoxazol-2-ylmethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one (CID 139907422) is 3-(4,7-dihydro-1,3-benzoxazol-2-ylmethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(4,7-dihydro-1,3-benzoxazol-2-ylmethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(4,7-dihydro-1,3-benzoxazol-2-ylmethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one is CCc1cc(NCc2nc3c(o2)CC=CC3)c(=O)[nH]c1C.
What is the InChIKey of 3-(4,7-dihydro-1,3-benzoxazol-2-ylmethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one?
The InChIKey is ZOPDHBUJZABKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-11-8-13(16(20)18-10(11)2)17-9-15-19-12-6-4-5-7-14(12)21-15/h4-5,8,17H,3,6-7,9H2,1-2H3,(H,18,20).
What are the key properties of 3-(4,7-dihydro-1,3-benzoxazol-2-ylmethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one?
3-(4,7-dihydro-1,3-benzoxazol-2-ylmethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one has a molecular weight of 285.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,7-dihydro-1,3-benzoxazol-2-ylmethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 139907422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).