7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridin-2-yl-1,2-benzoxazole-5-carbaldehyde

C19H18ClN3O3 — CID 91052837

IUPAC7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridin-2-yl-1,2-benzoxazole-5-carbaldehyde
SMILESCC1CN(c2c(C=O)cc3c(-c4ccccn4)noc3c2Cl)CC(C)O1
InChIInChI=1S/C19H18ClN3O3/c1-11-8-23(9-12(2)25-11)18-13(10-24)7-14-17(15-5-3-4-6-21-15)22-26-19(14)16(18)20/h3-7,10-12H,8-9H2,1-2H3
InChIKeyRXZOIRGAMSYOMJ-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.97
Rot. Bonds3

About 7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridin-2-yl-1,2-benzoxazole-5-carbaldehyde

7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridin-2-yl-1,2-benzoxazole-5-carbaldehyde (PubChem CID 91052837) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridin-2-yl-1,2-benzoxazole-5-carbaldehyde.

Molecular Properties

Compound Name7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridin-2-yl-1,2-benzoxazole-5-carbaldehyde
PubChem CID91052837
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridin-2-yl-1,2-benzoxazole-5-carbaldehyde
SMILESCC1CN(c2c(C=O)cc3c(-c4ccccn4)noc3c2Cl)CC(C)O1
InChIInChI=1S/C19H18ClN3O3/c1-11-8-23(9-12(2)25-11)18-13(10-24)7-14-17(15-5-3-4-6-21-15)22-26-19(14)16(18)20/h3-7,10-12H,8-9H2,1-2H3
InChIKeyRXZOIRGAMSYOMJ-UHFFFAOYSA-N
XLogP3.97
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridine-5-carbaldehyde
CID 86658114
7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-5-carbaldehyde
CID 91443590
7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-(methoxymethyl)-1,2-benzoxazole-5-carbaldehyde
CID 123323162
[7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyrimidin-4-yl-1,2-benzoxazol-5-yl]methanol
CID 77291552
6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(triazol-2-yl)-1,2-benzoxazole-5-carbaldehyde
CID 91462461
[7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridin-3-yl-1,2-benzoxazol-5-yl]methanol
CID 67377212
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,4-difluoro-5-(pyridine-2-carbonyl)benzaldehyde
CID 87369152
7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-(2-methyl-1,2,4-triazol-3-yl)-[1,2]oxazolo[4,5-b]pyridine-5-carbaldehyde
CID 91133483
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-[4-(morpholine-4-carbonyl)-1,3-thiazol-5-yl]-1,2-benzoxazole-5-carbaldehyde
CID 87398890
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrimidin-2-yl-1,2-benzoxazol-5-yl]methanol
CID 67358403
(2S,6R)-4-(7-fluoro-3-pyridin-2-yl-1,2-benzothiazol-6-yl)-2,6-dimethylmorpholine
CID 141266277
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyridazin-3-yl-1,2-benzoxazole
CID 141266264

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridin-2-yl-1,2-benzoxazole-5-carbaldehyde?
The IUPAC name of 7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridin-2-yl-1,2-benzoxazole-5-carbaldehyde (CID 91052837) is 7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridin-2-yl-1,2-benzoxazole-5-carbaldehyde.
What is the SMILES notation for 7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridin-2-yl-1,2-benzoxazole-5-carbaldehyde?
The canonical SMILES for 7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridin-2-yl-1,2-benzoxazole-5-carbaldehyde is CC1CN(c2c(C=O)cc3c(-c4ccccn4)noc3c2Cl)CC(C)O1.
What is the InChIKey of 7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridin-2-yl-1,2-benzoxazole-5-carbaldehyde?
The InChIKey is RXZOIRGAMSYOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-11-8-23(9-12(2)25-11)18-13(10-24)7-14-17(15-5-3-4-6-21-15)22-26-19(14)16(18)20/h3-7,10-12H,8-9H2,1-2H3.
What are the key properties of 7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridin-2-yl-1,2-benzoxazole-5-carbaldehyde?
7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridin-2-yl-1,2-benzoxazole-5-carbaldehyde has a molecular weight of 371.82 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridin-2-yl-1,2-benzoxazole-5-carbaldehyde is sourced from PubChem (CID 91052837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).