[5-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

C15H20N2O3 — CID 131655442

IUPAC[5-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CC2CC1CC2OCC1CC1
InChIInChI=1S/C15H20N2O3/c1-9-13(6-16-20-9)15(18)17-7-11-4-12(17)5-14(11)19-8-10-2-3-10/h6,10-12,14H,2-5,7-8H2,1H3
InChIKeyNIEGGJMGPDFJKY-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.01
Rot. Bonds4

About [5-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone

[5-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 131655442) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is [5-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[5-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID131655442
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name[5-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CC2CC1CC2OCC1CC1
InChIInChI=1S/C15H20N2O3/c1-9-13(6-16-20-9)15(18)17-7-11-4-12(17)5-14(11)19-8-10-2-3-10/h6,10-12,14H,2-5,7-8H2,1H3
InChIKeyNIEGGJMGPDFJKY-UHFFFAOYSA-N
XLogP2.01
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone with MolForge

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Related Compounds

[(3aR,5R,6R,7aS)-5-(cyclopropylmethoxy)-6-(4-cyclopropyltriazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 176503502
[(7S)-7-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 124811735
3,6-diazabicyclo[3.2.0]heptan-6-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 25072614
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 115307102
(3-aminoazetidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 65244931
2,6-diazabicyclo[3.2.1]octan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 68600353
[(3R,3aS,7aR)-3-(pyridin-4-ylmethoxy)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 97366290
[(2R,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 124835252
methyl (2R)-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylate
CID 113330671
2-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]acetic acid
CID 54899806
[(1S,5R)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 70740192
3-[(5S)-5-ethoxy-2-azabicyclo[2.2.1]heptane-2-carbonyl]pyridine-2-carboxamide
CID 131687984

Frequently Asked Questions

What is the IUPAC name of [5-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [5-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone (CID 131655442) is [5-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [5-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [5-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is Cc1oncc1C(=O)N1CC2CC1CC2OCC1CC1.
What is the InChIKey of [5-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is NIEGGJMGPDFJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-13(6-16-20-9)15(18)17-7-11-4-12(17)5-14(11)19-8-10-2-3-10/h6,10-12,14H,2-5,7-8H2,1H3.
What are the key properties of [5-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone?
[5-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 276.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopropylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 131655442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).