N-(2-aminospiro[2.5]octan-6-yl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide

C16H21N5O2 — CID 167933062

IUPACN-(2-aminospiro[2.5]octan-6-yl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCn1ccc(-c2cc(C(=O)NC3CCC4(CC3)CC4N)no2)n1
InChIInChI=1S/C16H21N5O2/c1-21-7-4-11(19-21)13-8-12(20-23-13)15(22)18-10-2-5-16(6-3-10)9-14(16)17/h4,7-8,10,14H,2-3,5-6,9,17H2,1H3,(H,18,22)
InChIKeyYEMWQAIKZVETFA-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.46
Rot. Bonds3

About N-(2-aminospiro[2.5]octan-6-yl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide

N-(2-aminospiro[2.5]octan-6-yl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 167933062) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(2-aminospiro[2.5]octan-6-yl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminospiro[2.5]octan-6-yl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID167933062
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-(2-aminospiro[2.5]octan-6-yl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCn1ccc(-c2cc(C(=O)NC3CCC4(CC3)CC4N)no2)n1
InChIInChI=1S/C16H21N5O2/c1-21-7-4-11(19-21)13-8-12(20-23-13)15(22)18-10-2-5-16(6-3-10)9-14(16)17/h4,7-8,10,14H,2-3,5-6,9,17H2,1H3,(H,18,22)
InChIKeyYEMWQAIKZVETFA-UHFFFAOYSA-N
XLogP1.46
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide
CID 103885164
1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide
CID 168910444
1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 103120955
5-(1-methylpyrazol-3-yl)-N-[2-(3-methyl-2-pyridinyl)ethyl]-1,2-oxazole-3-carboxamide
CID 154786564
N-cyclopropyl-5-thiophen-3-yl-1,2-oxazole-3-carboxamide
CID 24859444
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 103118001
N-(4-aminocyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119477538
N-(2-aminospiro[2.3]hexan-5-yl)-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide
CID 138012008
N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 24794414
N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3242425
N-(3-aminocyclobutyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 145123844
5-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 5253507

Frequently Asked Questions

What is the IUPAC name of N-(2-aminospiro[2.5]octan-6-yl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-aminospiro[2.5]octan-6-yl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide (CID 167933062) is N-(2-aminospiro[2.5]octan-6-yl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-aminospiro[2.5]octan-6-yl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-aminospiro[2.5]octan-6-yl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide is Cn1ccc(-c2cc(C(=O)NC3CCC4(CC3)CC4N)no2)n1.
What is the InChIKey of N-(2-aminospiro[2.5]octan-6-yl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is YEMWQAIKZVETFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-21-7-4-11(19-21)13-8-12(20-23-13)15(22)18-10-2-5-16(6-3-10)9-14(16)17/h4,7-8,10,14H,2-3,5-6,9,17H2,1H3,(H,18,22).
What are the key properties of N-(2-aminospiro[2.5]octan-6-yl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
N-(2-aminospiro[2.5]octan-6-yl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminospiro[2.5]octan-6-yl)-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 167933062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).