morpholin-4-yl(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone

C13H18N2O3 — CID 3236660

IUPACmorpholin-4-yl(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone
SMILESO=C(c1noc2c1CCCCC2)N1CCOCC1
InChIInChI=1S/C13H18N2O3/c16-13(15-6-8-17-9-7-15)12-10-4-2-1-3-5-11(10)18-14-12/h1-9H2
InChIKeyWVBIFKJVEJLTDX-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.42
Rot. Bonds1

About morpholin-4-yl(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone

morpholin-4-yl(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone (PubChem CID 3236660) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is morpholin-4-yl(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone
PubChem CID3236660
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemorpholin-4-yl(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone
SMILESO=C(c1noc2c1CCCCC2)N1CCOCC1
InChIInChI=1S/C13H18N2O3/c16-13(15-6-8-17-9-7-15)12-10-4-2-1-3-5-11(10)18-14-12/h1-9H2
InChIKeyWVBIFKJVEJLTDX-UHFFFAOYSA-N
XLogP1.42
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide
CID 3245435
3-(Morpholin-4-ylcarbonyl)-4,5,6,7-tetrahydro-1,2-benzisoxazole
CID 3236189
5-Tert-butyl-3-(morpholin-4-ylcarbonyl)-4,5,6,7-tetrahydro-1,2-benzisoxazole
CID 3237193
3-(Piperidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1,2-benzisoxazole
CID 3237875
N-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 5128816
3-(4-Cyclohexylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 20923911
N-[2-(dimethylamino)ethyl]-N-ethyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 46280222
Ethyl 4-(4,5,6,7-tetrahydrobenzo[2,1-d]isoxazol-3-ylcarbonyl)piperazinecarboxy late
CID 17254499
N-[3-(diethylamino)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 20923840
1-{4H,5H,6H,7H,8H-Cyclohepta[D][1,2]oxazole-3-carbonyl}-4-cyclohexylpiperazine
CID 20923844
N-butyl-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 20923848
N,N-Bis(2-methylpropyl)-4H,5H,6H,7H,8H-cyclohepta[D][1,2]oxazole-3-carboxamide
CID 20923849

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone?
The IUPAC name of morpholin-4-yl(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone (CID 3236660) is morpholin-4-yl(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone.
What is the SMILES notation for morpholin-4-yl(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone?
The canonical SMILES for morpholin-4-yl(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone is O=C(c1noc2c1CCCCC2)N1CCOCC1.
What is the InChIKey of morpholin-4-yl(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone?
The InChIKey is WVBIFKJVEJLTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-13(15-6-8-17-9-7-15)12-10-4-2-1-3-5-11(10)18-14-12/h1-9H2.
What are the key properties of morpholin-4-yl(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone?
morpholin-4-yl(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone has a molecular weight of 250.30 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone is sourced from PubChem (CID 3236660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).