(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

C12H16N2O4 — CID 81208217

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCOC(CO)C1
InChIInChI=1S/C12H16N2O4/c15-7-9-6-14(3-4-17-9)12(16)10-5-11(18-13-10)8-1-2-8/h5,8-9,15H,1-4,6-7H2
InChIKeyMKACXOWVMOZSBH-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.39
Rot. Bonds3

About (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 81208217) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID81208217
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1cc(C2CC2)on1)N1CCOC(CO)C1
InChIInChI=1S/C12H16N2O4/c15-7-9-6-14(3-4-17-9)12(16)10-5-11(18-13-10)8-1-2-8/h5,8-9,15H,1-4,6-7H2
InChIKeyMKACXOWVMOZSBH-UHFFFAOYSA-N
XLogP0.39
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 126446370
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63104546
(5-cyclopropyl-1,2-oxazol-3-yl)-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 124864452
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 90505051
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 71805699
2-[4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)quinoline-4-carboxamide
CID 110251984
3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-pyridazin-6-one
CID 81208326
(5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 121184581
(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207977
[2-(hydroxymethyl)morpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 81203428
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-phenylazepan-1-yl)methanone
CID 90608568
(5-cyclopropyl-1,2-oxazol-3-yl)-[(3R)-3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124862214

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 81208217) is (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is O=C(c1cc(C2CC2)on1)N1CCOC(CO)C1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is MKACXOWVMOZSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-7-9-6-14(3-4-17-9)12(16)10-5-11(18-13-10)8-1-2-8/h5,8-9,15H,1-4,6-7H2.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 252.27 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 81208217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).