N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

C11H15N3O2 — CID 43594257

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC1C2CNCC21
InChIInChI=1S/C11H15N3O2/c1-5-9(6(2)16-14-5)11(15)13-10-7-3-12-4-8(7)10/h7-8,10,12H,3-4H2,1-2H3,(H,13,15)
InChIKeyAPBGXZVSYDADQJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.24
Rot. Bonds2

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 43594257) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID43594257
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC1C2CNCC21
InChIInChI=1S/C11H15N3O2/c1-5-9(6(2)16-14-5)11(15)13-10-7-3-12-4-8(7)10/h7-8,10,12H,3-4H2,1-2H3,(H,13,15)
InChIKeyAPBGXZVSYDADQJ-UHFFFAOYSA-N
XLogP0.24
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 43389638
N-(2-hydroxycyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 62360696
N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 42887904
3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63044187
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;hydrochloride
CID 154897182
N-[[(3S,3aS,6aR)-5-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide;sulfane
CID 160771197
3,5-dimethyl-N-(1-piperidin-3-ylethyl)-1,2-oxazole-4-carboxamide;hydrochloride
CID 119473975
N,3,5-trimethyl-N-pyrrolidin-3-yl-1,2-oxazole-4-carboxamide
CID 63297742
N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 39258382
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 95790526
3,5-dimethyl-N-[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,2-oxazole-4-carboxamide
CID 100716037
1-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449567

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 43594257) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NC1C2CNCC21.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is APBGXZVSYDADQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-5-9(6(2)16-14-5)11(15)13-10-7-3-12-4-8(7)10/h7-8,10,12H,3-4H2,1-2H3,(H,13,15).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 43594257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).