[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol

C23H25N5O3 — CID 139406187

IUPAC[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol
SMILESCc1noc(C)c1-c1cc(N2CCOCC2C)nc(-c2cc(CO)cc3[nH]ccc23)n1
InChIInChI=1S/C23H25N5O3/c1-13-12-30-7-6-28(13)21-10-20(22-14(2)27-31-15(22)3)25-23(26-21)18-8-16(11-29)9-19-17(18)4-5-24-19/h4-5,8-10,13,24,29H,6-7,11-12H2,1-3H3
InChIKeyJRSVMRFHVVIPCM-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.61
Rot. Bonds4

About [4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol

[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol (PubChem CID 139406187) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is [4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol.

Molecular Properties

Compound Name[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol
PubChem CID139406187
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol
SMILESCc1noc(C)c1-c1cc(N2CCOCC2C)nc(-c2cc(CO)cc3[nH]ccc23)n1
InChIInChI=1S/C23H25N5O3/c1-13-12-30-7-6-28(13)21-10-20(22-14(2)27-31-15(22)3)25-23(26-21)18-8-16(11-29)9-19-17(18)4-5-24-19/h4-5,8-10,13,24,29H,6-7,11-12H2,1-3H3
InChIKeyJRSVMRFHVVIPCM-UHFFFAOYSA-N
XLogP3.61
TPSA100.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol?
The IUPAC name of [4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol (CID 139406187) is [4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol.
What is the SMILES notation for [4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol?
The canonical SMILES for [4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol is Cc1noc(C)c1-c1cc(N2CCOCC2C)nc(-c2cc(CO)cc3[nH]ccc23)n1.
What is the InChIKey of [4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol?
The InChIKey is JRSVMRFHVVIPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-13-12-30-7-6-28(13)21-10-20(22-14(2)27-31-15(22)3)25-23(26-21)18-8-16(11-29)9-19-17(18)4-5-24-19/h4-5,8-10,13,24,29H,6-7,11-12H2,1-3H3.
What are the key properties of [4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol?
[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol has a molecular weight of 419.49 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol is sourced from PubChem (CID 139406187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).