7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyrimidin-5-yl-1,2-benzoxazole

C17H17ClN4O2 — CID 141266260

IUPAC7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyrimidin-5-yl-1,2-benzoxazole
SMILESC[C@@H]1CN(c2ccc3c(-c4cncnc4)noc3c2Cl)C[C@H](C)O1
InChIInChI=1S/C17H17ClN4O2/c1-10-7-22(8-11(2)23-10)14-4-3-13-16(12-5-19-9-20-6-12)21-24-17(13)15(14)18/h3-6,9-11H,7-8H2,1-2H3/t10-,11+
InChIKeyOCUQXXYXICKMLW-PHIMTYICSA-N
MW344.80 g/mol
LogP3.55
Rot. Bonds2

About 7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyrimidin-5-yl-1,2-benzoxazole

7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyrimidin-5-yl-1,2-benzoxazole (PubChem CID 141266260) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyrimidin-5-yl-1,2-benzoxazole.

Molecular Properties

Compound Name7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyrimidin-5-yl-1,2-benzoxazole
PubChem CID141266260
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyrimidin-5-yl-1,2-benzoxazole
SMILESC[C@@H]1CN(c2ccc3c(-c4cncnc4)noc3c2Cl)C[C@H](C)O1
InChIInChI=1S/C17H17ClN4O2/c1-10-7-22(8-11(2)23-10)14-4-3-13-16(12-5-19-9-20-6-12)21-24-17(13)15(14)18/h3-6,9-11H,7-8H2,1-2H3/t10-,11+
InChIKeyOCUQXXYXICKMLW-PHIMTYICSA-N
XLogP3.55
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyrimidin-5-yl-1,2-benzoxazole with MolForge

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Related Compounds

6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(1H-pyrazol-4-yl)-1,2-benzoxazole
CID 141266261
[7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridin-3-yl-1,2-benzoxazol-5-yl]methanol
CID 67377212
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyridazin-3-yl-1,2-benzoxazole
CID 141266264
[7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyrimidin-4-yl-1,2-benzoxazol-5-yl]methanol
CID 77291552
7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridin-2-yl-1,2-benzoxazole-5-carbaldehyde
CID 91052837
5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinazoline-8-carbonitrile
CID 129240771
7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-5-carbaldehyde
CID 91443590
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-N-methyl-N-propyl-1,2-benzoxazol-3-amine
CID 141266263
5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline
CID 28820003
7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-(methoxymethyl)-1,2-benzoxazole-5-carbaldehyde
CID 123323162
N-(cyclohexylmethyl)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-7-fluoro-1,2-benzoxazol-3-amine
CID 141266232
4-(5-chloro-1,3-oxazol-2-yl)-2,6-dimethylmorpholine
CID 151651252

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyrimidin-5-yl-1,2-benzoxazole?
The IUPAC name of 7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyrimidin-5-yl-1,2-benzoxazole (CID 141266260) is 7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyrimidin-5-yl-1,2-benzoxazole.
What is the SMILES notation for 7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyrimidin-5-yl-1,2-benzoxazole?
The canonical SMILES for 7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyrimidin-5-yl-1,2-benzoxazole is C[C@@H]1CN(c2ccc3c(-c4cncnc4)noc3c2Cl)C[C@H](C)O1.
What is the InChIKey of 7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyrimidin-5-yl-1,2-benzoxazole?
The InChIKey is OCUQXXYXICKMLW-PHIMTYICSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-10-7-22(8-11(2)23-10)14-4-3-13-16(12-5-19-9-20-6-12)21-24-17(13)15(14)18/h3-6,9-11H,7-8H2,1-2H3/t10-,11+.
What are the key properties of 7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyrimidin-5-yl-1,2-benzoxazole?
7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyrimidin-5-yl-1,2-benzoxazole has a molecular weight of 344.80 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyrimidin-5-yl-1,2-benzoxazole is sourced from PubChem (CID 141266260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).