4-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]quinazolin-2-yl]amino]cyclohexan-1-ol

C20H24N4O3 — CID 58082266

IUPAC4-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]quinazolin-2-yl]amino]cyclohexan-1-ol
SMILESCc1noc(C)c1COc1ccc2cnc(NC3CCC(O)CC3)nc2c1
InChIInChI=1S/C20H24N4O3/c1-12-18(13(2)27-24-12)11-26-17-8-3-14-10-21-20(23-19(14)9-17)22-15-4-6-16(25)7-5-15/h3,8-10,15-16,25H,4-7,11H2,1-2H3,(H,21,22,23)
InChIKeyHSYJTOVLRUFPFK-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.53
Rot. Bonds5

About 4-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]quinazolin-2-yl]amino]cyclohexan-1-ol

4-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]quinazolin-2-yl]amino]cyclohexan-1-ol (PubChem CID 58082266) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]quinazolin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]quinazolin-2-yl]amino]cyclohexan-1-ol
PubChem CID58082266
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name4-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]quinazolin-2-yl]amino]cyclohexan-1-ol
SMILESCc1noc(C)c1COc1ccc2cnc(NC3CCC(O)CC3)nc2c1
InChIInChI=1S/C20H24N4O3/c1-12-18(13(2)27-24-12)11-26-17-8-3-14-10-21-20(23-19(14)9-17)22-15-4-6-16(25)7-5-15/h3,8-10,15-16,25H,4-7,11H2,1-2H3,(H,21,22,23)
InChIKeyHSYJTOVLRUFPFK-UHFFFAOYSA-N
XLogP3.53
TPSA93.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]quinazolin-2-yl]amino]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]quinazolin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]quinazolin-2-yl]amino]cyclohexan-1-ol (CID 58082266) is 4-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]quinazolin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]quinazolin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]quinazolin-2-yl]amino]cyclohexan-1-ol is Cc1noc(C)c1COc1ccc2cnc(NC3CCC(O)CC3)nc2c1.
What is the InChIKey of 4-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]quinazolin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is HSYJTOVLRUFPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-12-18(13(2)27-24-12)11-26-17-8-3-14-10-21-20(23-19(14)9-17)22-15-4-6-16(25)7-5-15/h3,8-10,15-16,25H,4-7,11H2,1-2H3,(H,21,22,23).
What are the key properties of 4-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]quinazolin-2-yl]amino]cyclohexan-1-ol?
4-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]quinazolin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 368.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]quinazolin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 58082266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).