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

C10H13N3O2 — CID 43594338

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NC1C2CNCC21
InChIInChI=1S/C10H13N3O2/c1-5-6(4-12-15-5)10(14)13-9-7-2-11-3-8(7)9/h4,7-9,11H,2-3H2,1H3,(H,13,14)
InChIKeyYXDIBIPSUYEGEL-UHFFFAOYSA-N
MW207.23 g/mol
LogP-0.07
Rot. Bonds2

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

N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 43594338) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID43594338
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NC1C2CNCC21
InChIInChI=1S/C10H13N3O2/c1-5-6(4-12-15-5)10(14)13-9-7-2-11-3-8(7)9/h4,7-9,11H,2-3H2,1H3,(H,13,14)
InChIKeyYXDIBIPSUYEGEL-UHFFFAOYSA-N
XLogP-0.07
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-methyl-1,2-oxazole-4-carboxamide
CID 3358009
N-isopropyl-5-methyl-4-isoxazolecarboxamide
CID 1477707
Nerbacadol
CID 65865
3,7-Diazabicyclo[3.3.1]nonan-3-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 59268934
[(2S,3aR,7aS)-1-(cyclopropylmethyl)-2-[(dimethylamino)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 98777352
1-(5-Methyl-1,2-oxazole-4-carbonyl)piperazine hydrochloride
CID 45791716
5-methyl-N-(piperidin-4-yl)-1,2-oxazole-4-carboxamide hydrochloride
CID 47002718
N-(2-fluoroethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 53757803
N-(3-methylbutyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide
CID 54291087
[[1-(5-Methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]carbamoylamino] 2,2,2-trifluoroacetate
CID 140200251
5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1,2-oxazole-4-carboxamide
CID 145811288
(5-Methylisoxazol-4-yl)(2-(trifluoromethyl)piperidin-1-yl)methanone
CID 92092542

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 43594338) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NC1C2CNCC21.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is YXDIBIPSUYEGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-5-6(4-12-15-5)10(14)13-9-7-2-11-3-8(7)9/h4,7-9,11H,2-3H2,1H3,(H,13,14).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 207.23 g/mol, XLogP of -0.07, 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)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 43594338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).