4-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)morpholin-3-one

C13H18N2O3 — CID 142624702

IUPAC4-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)morpholin-3-one
SMILESCC(C)c1noc(C2CC2)c1N1CCOCC1=O
InChIInChI=1S/C13H18N2O3/c1-8(2)11-12(13(18-14-11)9-3-4-9)15-5-6-17-7-10(15)16/h8-9H,3-7H2,1-2H3
InChIKeyTZKXHTNCANLQDX-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.04
Rot. Bonds3

About 4-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)morpholin-3-one

4-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)morpholin-3-one (PubChem CID 142624702) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)morpholin-3-one.

Molecular Properties

Compound Name4-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)morpholin-3-one
PubChem CID142624702
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)morpholin-3-one
SMILESCC(C)c1noc(C2CC2)c1N1CCOCC1=O
InChIInChI=1S/C13H18N2O3/c1-8(2)11-12(13(18-14-11)9-3-4-9)15-5-6-17-7-10(15)16/h8-9H,3-7H2,1-2H3
InChIKeyTZKXHTNCANLQDX-UHFFFAOYSA-N
XLogP2.04
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)morpholin-3-one?
The IUPAC name of 4-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)morpholin-3-one (CID 142624702) is 4-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)morpholin-3-one.
What is the SMILES notation for 4-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)morpholin-3-one?
The canonical SMILES for 4-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)morpholin-3-one is CC(C)c1noc(C2CC2)c1N1CCOCC1=O.
What is the InChIKey of 4-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)morpholin-3-one?
The InChIKey is TZKXHTNCANLQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8(2)11-12(13(18-14-11)9-3-4-9)15-5-6-17-7-10(15)16/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)morpholin-3-one?
4-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)morpholin-3-one has a molecular weight of 250.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-yl)morpholin-3-one is sourced from PubChem (CID 142624702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).