6-[2-(benzylamino)-1-hydroxyethyl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one

C16H17N3O3 — CID 19079290

IUPAC6-[2-(benzylamino)-1-hydroxyethyl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCn1c(=O)oc2cc(C(O)CNCc3ccccc3)cnc21
InChIInChI=1S/C16H17N3O3/c1-19-15-14(22-16(19)21)7-12(9-18-15)13(20)10-17-8-11-5-3-2-4-6-11/h2-7,9,13,17,20H,8,10H2,1H3
InChIKeyRJFLHDOCRSJNMU-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.35
Rot. Bonds5

About 6-[2-(benzylamino)-1-hydroxyethyl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one

6-[2-(benzylamino)-1-hydroxyethyl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 19079290) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 6-[2-(benzylamino)-1-hydroxyethyl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-[2-(benzylamino)-1-hydroxyethyl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID19079290
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name6-[2-(benzylamino)-1-hydroxyethyl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCn1c(=O)oc2cc(C(O)CNCc3ccccc3)cnc21
InChIInChI=1S/C16H17N3O3/c1-19-15-14(22-16(19)21)7-12(9-18-15)13(20)10-17-8-11-5-3-2-4-6-11/h2-7,9,13,17,20H,8,10H2,1H3
InChIKeyRJFLHDOCRSJNMU-UHFFFAOYSA-N
XLogP1.35
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzylamino)-1-(6-methyl-3-pyridinyl)ethanol;dihydrochloride
CID 11587721
2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897047
2-(benzylamino)-1-(3,4-dichlorophenyl)ethanol
CID 70463218
3,6-dimethyl-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 15778595
2-(benzylamino)-1-(4-phenylphenyl)ethanol
CID 12526842
(1R)-2-(benzylamino)-1-naphthalen-2-ylethanol
CID 93383727
2-(benzylamino)-1-(1-methylindazol-4-yl)ethanol
CID 177223484
(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
CID 51681134
6-(2-bromoacetyl)-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 19079305
N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 110683274
N-benzyl-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766483
(2S)-1-(benzylamino)propan-2-ol
CID 964914

Frequently Asked Questions

What is the IUPAC name of 6-[2-(benzylamino)-1-hydroxyethyl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 6-[2-(benzylamino)-1-hydroxyethyl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 19079290) is 6-[2-(benzylamino)-1-hydroxyethyl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-[2-(benzylamino)-1-hydroxyethyl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-[2-(benzylamino)-1-hydroxyethyl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one is Cn1c(=O)oc2cc(C(O)CNCc3ccccc3)cnc21.
What is the InChIKey of 6-[2-(benzylamino)-1-hydroxyethyl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is RJFLHDOCRSJNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-19-15-14(22-16(19)21)7-12(9-18-15)13(20)10-17-8-11-5-3-2-4-6-11/h2-7,9,13,17,20H,8,10H2,1H3.
What are the key properties of 6-[2-(benzylamino)-1-hydroxyethyl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one?
6-[2-(benzylamino)-1-hydroxyethyl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 299.33 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(benzylamino)-1-hydroxyethyl]-3-methyl-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 19079290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).