[7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyrimidin-4-yl-1,2-benzoxazol-5-yl]methanol

C18H19ClN4O3 — CID 77291552

IUPAC[7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyrimidin-4-yl-1,2-benzoxazol-5-yl]methanol
SMILESCC1CN(c2c(CO)cc3c(-c4ccncn4)noc3c2Cl)CC(C)O1
InChIInChI=1S/C18H19ClN4O3/c1-10-6-23(7-11(2)25-10)17-12(8-24)5-13-16(14-3-4-20-9-21-14)22-26-18(13)15(17)19/h3-5,9-11,24H,6-8H2,1-2H3
InChIKeyPVXNFOQINBJFGM-UHFFFAOYSA-N
MW374.83 g/mol
LogP3.04
Rot. Bonds3

About [7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyrimidin-4-yl-1,2-benzoxazol-5-yl]methanol

[7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyrimidin-4-yl-1,2-benzoxazol-5-yl]methanol (PubChem CID 77291552) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is [7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyrimidin-4-yl-1,2-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyrimidin-4-yl-1,2-benzoxazol-5-yl]methanol
PubChem CID77291552
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name[7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyrimidin-4-yl-1,2-benzoxazol-5-yl]methanol
SMILESCC1CN(c2c(CO)cc3c(-c4ccncn4)noc3c2Cl)CC(C)O1
InChIInChI=1S/C18H19ClN4O3/c1-10-6-23(7-11(2)25-10)17-12(8-24)5-13-16(14-3-4-20-9-21-14)22-26-18(13)15(17)19/h3-5,9-11,24H,6-8H2,1-2H3
InChIKeyPVXNFOQINBJFGM-UHFFFAOYSA-N
XLogP3.04
TPSA84.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

[7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridin-3-yl-1,2-benzoxazol-5-yl]methanol
CID 67377212
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-pyrimidin-2-yl-1,2-benzoxazol-5-yl]methanol
CID 67358403
[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(1-methylimidazol-4-yl)-1,2-benzoxazol-5-yl]methanol
CID 77272708
7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridin-2-yl-1,2-benzoxazole-5-carbaldehyde
CID 91052837
[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-3-(pyridin-4-ylmethylamino)-1,2-benzoxazol-5-yl]methanol
CID 77275764
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-3-(1,3-thiazol-5-yl)-1,2-benzoxazol-5-yl]methanol
CID 67358745
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-(hydroxymethyl)-N,N-dimethyl-1,2-benzoxazole-3-carboxamide
CID 67358081
7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-5-carbaldehyde
CID 91443590
7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyrimidin-5-yl-1,2-benzoxazole
CID 141266260
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
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-ethyl-7-fluoro-5-(hydroxymethyl)-1,2-benzoxazole-3-carboxamide
CID 67359591
[3-(2-bromo-1,3-thiazol-5-yl)-7-chloro-6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1,2]oxazolo[4,5-b]pyridin-5-yl]methanol
CID 67358200

Frequently Asked Questions

What is the IUPAC name of [7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyrimidin-4-yl-1,2-benzoxazol-5-yl]methanol?
The IUPAC name of [7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyrimidin-4-yl-1,2-benzoxazol-5-yl]methanol (CID 77291552) is [7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyrimidin-4-yl-1,2-benzoxazol-5-yl]methanol.
What is the SMILES notation for [7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyrimidin-4-yl-1,2-benzoxazol-5-yl]methanol?
The canonical SMILES for [7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyrimidin-4-yl-1,2-benzoxazol-5-yl]methanol is CC1CN(c2c(CO)cc3c(-c4ccncn4)noc3c2Cl)CC(C)O1.
What is the InChIKey of [7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyrimidin-4-yl-1,2-benzoxazol-5-yl]methanol?
The InChIKey is PVXNFOQINBJFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-10-6-23(7-11(2)25-10)17-12(8-24)5-13-16(14-3-4-20-9-21-14)22-26-18(13)15(17)19/h3-5,9-11,24H,6-8H2,1-2H3.
What are the key properties of [7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyrimidin-4-yl-1,2-benzoxazol-5-yl]methanol?
[7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyrimidin-4-yl-1,2-benzoxazol-5-yl]methanol has a molecular weight of 374.83 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyrimidin-4-yl-1,2-benzoxazol-5-yl]methanol is sourced from PubChem (CID 77291552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).