N-butan-2-yl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C13H17N3O2 — CID 56684520

IUPACN-butan-2-yl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCC(C)N(C)C(=O)c1cnc2onc(C)c2c1
InChIInChI=1S/C13H17N3O2/c1-5-8(2)16(4)13(17)10-6-11-9(3)15-18-12(11)14-7-10/h6-8H,5H2,1-4H3
InChIKeyOKQYFFCZGROPOY-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.40
Rot. Bonds3

About N-butan-2-yl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

N-butan-2-yl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 56684520) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-butan-2-yl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID56684520
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-butan-2-yl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCC(C)N(C)C(=O)c1cnc2onc(C)c2c1
InChIInChI=1S/C13H17N3O2/c1-5-8(2)16(4)13(17)10-6-11-9(3)15-18-12(11)14-7-10/h6-8H,5H2,1-4H3
InChIKeyOKQYFFCZGROPOY-UHFFFAOYSA-N
XLogP2.40
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(2-hydroxyethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 61236027
(2S)-3-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 61174671
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 119653779
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;hydrochloride
CID 119653778
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 51089837
3-methyl-2-[[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]butanoic acid
CID 65220171
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
2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-prop-2-enylamino]acetic acid
CID 79263557
2-methyl-5-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 104682580

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-butan-2-yl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 56684520) is N-butan-2-yl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-butan-2-yl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is CCC(C)N(C)C(=O)c1cnc2onc(C)c2c1.
What is the InChIKey of N-butan-2-yl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is OKQYFFCZGROPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-5-8(2)16(4)13(17)10-6-11-9(3)15-18-12(11)14-7-10/h6-8H,5H2,1-4H3.
What are the key properties of N-butan-2-yl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
N-butan-2-yl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 56684520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).