3-methylidene-6-morpholin-4-yl-1,2-benzoxazole

C12H14N2O2 — CID 15966561

IUPAC3-methylidene-6-morpholin-4-yl-1,2-benzoxazole
SMILESC=C1NOc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C12H14N2O2/c1-9-11-3-2-10(8-12(11)16-13-9)14-4-6-15-7-5-14/h2-3,8,13H,1,4-7H2
InChIKeyNEIACZXHGHPIDX-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.39
Rot. Bonds1

About 3-methylidene-6-morpholin-4-yl-1,2-benzoxazole

3-methylidene-6-morpholin-4-yl-1,2-benzoxazole (PubChem CID 15966561) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-methylidene-6-morpholin-4-yl-1,2-benzoxazole.

Molecular Properties

Compound Name3-methylidene-6-morpholin-4-yl-1,2-benzoxazole
PubChem CID15966561
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-methylidene-6-morpholin-4-yl-1,2-benzoxazole
SMILESC=C1NOc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C12H14N2O2/c1-9-11-3-2-10(8-12(11)16-13-9)14-4-6-15-7-5-14/h2-3,8,13H,1,4-7H2
InChIKeyNEIACZXHGHPIDX-UHFFFAOYSA-N
XLogP1.39
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
6-morpholin-4-yl-3,4-dihydro-2H-naphthalen-1-one
CID 13179501
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
4-[4-(1-fluoroethenyl)phenyl]morpholine
CID 125492138
5-morpholin-4-yl-1H-indole-2,3-dione
CID 16781550
N-fluoro-4-morpholin-4-ylaniline
CID 141098997
N,N-dimethyl-4-morpholin-4-ylaniline
CID 11264229
2-(difluoromethyl)-5-morpholin-4-ylbenzenethiol
CID 121367020
(3S)-3-methyl-7-morpholin-4-yl-3,4-dihydro-2H-5,1λ6,2-benzoxathiazepine 1,1-dioxide
CID 51359762
4-[2,3-bis(4-morpholin-4-ylphenyl)quinoxalin-6-yl]morpholine
CID 168665169
4-(2,3-dihydro-1H-indol-6-yl)morpholine
CID 39240725

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-6-morpholin-4-yl-1,2-benzoxazole?
The IUPAC name of 3-methylidene-6-morpholin-4-yl-1,2-benzoxazole (CID 15966561) is 3-methylidene-6-morpholin-4-yl-1,2-benzoxazole.
What is the SMILES notation for 3-methylidene-6-morpholin-4-yl-1,2-benzoxazole?
The canonical SMILES for 3-methylidene-6-morpholin-4-yl-1,2-benzoxazole is C=C1NOc2cc(N3CCOCC3)ccc21.
What is the InChIKey of 3-methylidene-6-morpholin-4-yl-1,2-benzoxazole?
The InChIKey is NEIACZXHGHPIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9-11-3-2-10(8-12(11)16-13-9)14-4-6-15-7-5-14/h2-3,8,13H,1,4-7H2.
What are the key properties of 3-methylidene-6-morpholin-4-yl-1,2-benzoxazole?
3-methylidene-6-morpholin-4-yl-1,2-benzoxazole has a molecular weight of 218.26 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-6-morpholin-4-yl-1,2-benzoxazole is sourced from PubChem (CID 15966561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).