2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone

C13H14N2O3 — CID 29202132

IUPAC2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone
SMILESO=C(Cc1noc2ccccc12)N1CCOCC1
InChIInChI=1S/C13H14N2O3/c16-13(15-5-7-17-8-6-15)9-11-10-3-1-2-4-12(10)18-14-11/h1-4H,5-9H2
InChIKeyGBFLFAIVJMQXGU-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.23
Rot. Bonds2

About 2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone

2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone (PubChem CID 29202132) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone
PubChem CID29202132
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone
SMILESO=C(Cc1noc2ccccc12)N1CCOCC1
InChIInChI=1S/C13H14N2O3/c16-13(15-5-7-17-8-6-15)9-11-10-3-1-2-4-12(10)18-14-11/h1-4H,5-9H2
InChIKeyGBFLFAIVJMQXGU-UHFFFAOYSA-N
XLogP1.23
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone
CID 121187000
4-[2-(1,2-benzoxazol-3-yl)acetyl]piperazine-1-carbaldehyde
CID 110850189
2-(1,2-benzoxazol-3-yl)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79410823
ethyl 4-[2-(1,2-benzoxazol-3-yl)acetyl]piperazine-1-carboxylate
CID 5163496
2-(1,2-benzoxazol-3-yl)-1-[4-(chloromethyl)piperidin-1-yl]ethanone
CID 63397987
2-(1,2-benzoxazol-3-yl)-1-(1,4-thiazepan-4-yl)ethanone
CID 56813264
2-(1,2-benzoxazol-3-yl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 46612809
2-(1,2-benzoxazol-3-yl)-1-[4-(2-chlorophenyl)piperazin-1-yl]ethanone
CID 9210016
2-(1,2-benzoxazol-3-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 163346761
2-(1,2-benzoxazol-3-yl)-1-(3-bromopiperidin-1-yl)ethanone
CID 80659996
1-[4-(benzenesulfonyl)piperidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone
CID 71808758
2-(1,2-benzoxazol-3-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107224813

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone (CID 29202132) is 2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone is O=C(Cc1noc2ccccc12)N1CCOCC1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone?
The InChIKey is GBFLFAIVJMQXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-13(15-5-7-17-8-6-15)9-11-10-3-1-2-4-12(10)18-14-11/h1-4H,5-9H2.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone?
2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone has a molecular weight of 246.27 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 29202132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).