N-[2-(dimethylamino)ethyl]-5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

C15H24N4O3 — CID 97404558

IUPACN-[2-(dimethylamino)ethyl]-5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCC(C)C(=O)N1CCc2onc(C(=O)NCCN(C)C)c2C1
InChIInChI=1S/C15H24N4O3/c1-10(2)15(21)19-7-5-12-11(9-19)13(17-22-12)14(20)16-6-8-18(3)4/h10H,5-9H2,1-4H3,(H,16,20)
InChIKeyWQLNIFUGPYWHKO-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.51
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

N-[2-(dimethylamino)ethyl]-5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (PubChem CID 97404558) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
PubChem CID97404558
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-[2-(dimethylamino)ethyl]-5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
SMILESCC(C)C(=O)N1CCc2onc(C(=O)NCCN(C)C)c2C1
InChIInChI=1S/C15H24N4O3/c1-10(2)15(21)19-7-5-12-11(9-19)13(17-22-12)14(20)16-6-8-18(3)4/h10H,5-9H2,1-4H3,(H,16,20)
InChIKeyWQLNIFUGPYWHKO-UHFFFAOYSA-N
XLogP0.51
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-Isopropyl-4-nitroisoxazol-3-yl)carbonyl]piperidine-4-carboxamide
CID 16187486
N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 5307938
1-[(5-Isopropyl-4-nitroisoxazol-3-yl)carbonyl]piperidine
CID 12004944
3-(Piperidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1,2-benzisoxazole
CID 3237875
5-(Propan-2-YL)-N-propyl-1,2-oxazole-3-carboxamide
CID 6621383
N-cyclohexyl-5-isopropyl-4-nitroisoxazole-3-carboxamide
CID 16188049
N-((2R,4R)-1-(5-aminopentanoyl)-2-methylpiperidin-4-yl)-5-cyclopropylisoxazole-3-carboxamide
CID 132242513
N-((3S,4R)-1-(4-aminobutanoyl)-3-ethylpiperidin-4-yl)-5-cyclopropylisoxazole-3-carboxamide
CID 132242590
3-(4-Cyclohexylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 20923911
N-[2-(dimethylamino)ethyl]-N-ethyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 46280222
3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 47010153
7-[(5-Isopropylisoxazol-3-yl)carbonyl]-2,7-diazaspiro[4.5]decane
CID 56740147

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide (CID 97404558) is N-[2-(dimethylamino)ethyl]-5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is CC(C)C(=O)N1CCc2onc(C(=O)NCCN(C)C)c2C1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
The InChIKey is WQLNIFUGPYWHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-10(2)15(21)19-7-5-12-11(9-19)13(17-22-12)14(20)16-6-8-18(3)4/h10H,5-9H2,1-4H3,(H,16,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-(2-methylpropanoyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide is sourced from PubChem (CID 97404558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).