N,N-bis(2-hydroxyethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C12H15N3O4 — CID 61236027

IUPACN,N-bis(2-hydroxyethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1noc2ncc(C(=O)N(CCO)CCO)cc12
InChIInChI=1S/C12H15N3O4/c1-8-10-6-9(7-13-11(10)19-14-8)12(18)15(2-4-16)3-5-17/h6-7,16-17H,2-5H2,1H3
InChIKeyBMUJUSCXVJIKLP-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.04
Rot. Bonds5

About N,N-bis(2-hydroxyethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

N,N-bis(2-hydroxyethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 61236027) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID61236027
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC NameN,N-bis(2-hydroxyethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1noc2ncc(C(=O)N(CCO)CCO)cc12
InChIInChI=1S/C12H15N3O4/c1-8-10-6-9(7-13-11(10)19-14-8)12(18)15(2-4-16)3-5-17/h6-7,16-17H,2-5H2,1H3
InChIKeyBMUJUSCXVJIKLP-UHFFFAOYSA-N
XLogP-0.04
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-prop-2-enylamino]acetic acid
CID 79263557
N-butan-2-yl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 56684520
2-[tert-butyl-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid
CID 79265302
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 119653779
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 119653778
N-(5-hydroxy-2,2-dimethylpentyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 103899308
N-[1-(hydroxymethyl)cyclopropyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 115764756
N-(2-amino-2-methylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 119627151
2-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 61261892
N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 119506007
2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 66166410
(2S)-2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 107832863

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 61236027) is N,N-bis(2-hydroxyethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is Cc1noc2ncc(C(=O)N(CCO)CCO)cc12.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is BMUJUSCXVJIKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-8-10-6-9(7-13-11(10)19-14-8)12(18)15(2-4-16)3-5-17/h6-7,16-17H,2-5H2,1H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
N,N-bis(2-hydroxyethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 265.27 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 61236027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).