N-[3-(methylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

C10H14N4O3 — CID 91959836

IUPACN-[3-(methylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCNC(=O)CCNC(=O)c1cc2n(n1)CCO2
InChIInChI=1S/C10H14N4O3/c1-11-8(15)2-3-12-10(16)7-6-9-14(13-7)4-5-17-9/h6H,2-5H2,1H3,(H,11,15)(H,12,16)
InChIKeyLTQIDQRJJHKDLL-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.86
Rot. Bonds4

About N-[3-(methylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide

N-[3-(methylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (PubChem CID 91959836) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-[3-(methylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.

Molecular Properties

Compound NameN-[3-(methylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
PubChem CID91959836
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN-[3-(methylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
SMILESCNC(=O)CCNC(=O)c1cc2n(n1)CCO2
InChIInChI=1S/C10H14N4O3/c1-11-8(15)2-3-12-10(16)7-6-9-14(13-7)4-5-17-9/h6H,2-5H2,1H3,(H,11,15)(H,12,16)
InChIKeyLTQIDQRJJHKDLL-UHFFFAOYSA-N
XLogP-0.86
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91959844
N-(3,3-diphenylpropyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536811
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959259
N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91959829
N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 136543535
N-[(2-chlorophenyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789304
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959342
4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 112700659
N-[(3R,4R)-4-methoxyoxan-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 136587602
N-(2-chlorophenyl)sulfonyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 167983166
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 138002545
N-[1-[(5-methylthiophen-3-yl)methyl]pyrrolidin-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 167746254

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The IUPAC name of N-[3-(methylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide (CID 91959836) is N-[3-(methylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide.
What is the SMILES notation for N-[3-(methylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The canonical SMILES for N-[3-(methylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is CNC(=O)CCNC(=O)c1cc2n(n1)CCO2.
What is the InChIKey of N-[3-(methylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
The InChIKey is LTQIDQRJJHKDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-11-8(15)2-3-12-10(16)7-6-9-14(13-7)4-5-17-9/h6H,2-5H2,1H3,(H,11,15)(H,12,16).
What are the key properties of N-[3-(methylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide?
N-[3-(methylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide has a molecular weight of 238.25 g/mol, XLogP of -0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)-3-oxopropyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide is sourced from PubChem (CID 91959836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).