6-chloro-2-morpholin-4-yl-1,3-benzoxazole-4-carbaldehyde

C12H11ClN2O3 — CID 143625885

IUPAC6-chloro-2-morpholin-4-yl-1,3-benzoxazole-4-carbaldehyde
SMILESO=Cc1cc(Cl)cc2oc(N3CCOCC3)nc12
InChIInChI=1S/C12H11ClN2O3/c13-9-5-8(7-16)11-10(6-9)18-12(14-11)15-1-3-17-4-2-15/h5-7H,1-4H2
InChIKeyBGNBUIAKVYDDHT-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.13
Rot. Bonds2

About 6-chloro-2-morpholin-4-yl-1,3-benzoxazole-4-carbaldehyde

6-chloro-2-morpholin-4-yl-1,3-benzoxazole-4-carbaldehyde (PubChem CID 143625885) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 6-chloro-2-morpholin-4-yl-1,3-benzoxazole-4-carbaldehyde.

Molecular Properties

Compound Name6-chloro-2-morpholin-4-yl-1,3-benzoxazole-4-carbaldehyde
PubChem CID143625885
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name6-chloro-2-morpholin-4-yl-1,3-benzoxazole-4-carbaldehyde
SMILESO=Cc1cc(Cl)cc2oc(N3CCOCC3)nc12
InChIInChI=1S/C12H11ClN2O3/c13-9-5-8(7-16)11-10(6-9)18-12(14-11)15-1-3-17-4-2-15/h5-7H,1-4H2
InChIKeyBGNBUIAKVYDDHT-UHFFFAOYSA-N
XLogP2.13
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-morpholin-4-yl-1,3-benzoxazol-6-ol
CID 146454135
5-chloro-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridine
CID 118224361
4-chloro-2-(1,4-oxazepan-4-yl)benzaldehyde
CID 114844265
8-chloro-2-morpholin-4-ylquinazoline-6-carbaldehyde
CID 170708206
6-chloro-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-benzoxazole
CID 172901008
4-(2,6-dichloro-4-pyridinyl)morpholine;2,4,6-trichloropyridine
CID 159726941
6-chloro-2-[(3S)-3-ethylmorpholin-4-yl]-1,3-benzoxazole-4-carboxylic acid
CID 66874118
1-(6-chloro-1,3-benzoxazol-2-yl)-N-(oxan-4-yl)piperidine-4-carboxamide
CID 154822947
2-methyl-6-morpholin-4-ylpyridine-3-carbaldehyde
CID 102544177
5-morpholin-4-yl-1,2-oxazole-3-carbaldehyde
CID 96628098
2-amino-7-morpholin-4-yl-1,3-benzothiazole-4-carbaldehyde
CID 142244602
6-chloro-4-morpholin-4-yl-2,1,3-benzoxadiazole
CID 42647724

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-morpholin-4-yl-1,3-benzoxazole-4-carbaldehyde?
The IUPAC name of 6-chloro-2-morpholin-4-yl-1,3-benzoxazole-4-carbaldehyde (CID 143625885) is 6-chloro-2-morpholin-4-yl-1,3-benzoxazole-4-carbaldehyde.
What is the SMILES notation for 6-chloro-2-morpholin-4-yl-1,3-benzoxazole-4-carbaldehyde?
The canonical SMILES for 6-chloro-2-morpholin-4-yl-1,3-benzoxazole-4-carbaldehyde is O=Cc1cc(Cl)cc2oc(N3CCOCC3)nc12.
What is the InChIKey of 6-chloro-2-morpholin-4-yl-1,3-benzoxazole-4-carbaldehyde?
The InChIKey is BGNBUIAKVYDDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c13-9-5-8(7-16)11-10(6-9)18-12(14-11)15-1-3-17-4-2-15/h5-7H,1-4H2.
What are the key properties of 6-chloro-2-morpholin-4-yl-1,3-benzoxazole-4-carbaldehyde?
6-chloro-2-morpholin-4-yl-1,3-benzoxazole-4-carbaldehyde has a molecular weight of 266.68 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-morpholin-4-yl-1,3-benzoxazole-4-carbaldehyde is sourced from PubChem (CID 143625885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).