5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine

C20H26N6O2 — CID 67301909

IUPAC5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
SMILESCc1noc(C)c1CN1CCC(COc2cccc3nc(N)nc(N)c23)CC1
InChIInChI=1S/C20H26N6O2/c1-12-15(13(2)28-25-12)10-26-8-6-14(7-9-26)11-27-17-5-3-4-16-18(17)19(21)24-20(22)23-16/h3-5,14H,6-11H2,1-2H3,(H4,21,22,23,24)
InChIKeyQPSLTLISHTUAEM-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.69
Rot. Bonds5

About 5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine

5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine (PubChem CID 67301909) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
PubChem CID67301909
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
SMILESCc1noc(C)c1CN1CCC(COc2cccc3nc(N)nc(N)c23)CC1
InChIInChI=1S/C20H26N6O2/c1-12-15(13(2)28-25-12)10-26-8-6-14(7-9-26)11-27-17-5-3-4-16-18(17)19(21)24-20(22)23-16/h3-5,14H,6-11H2,1-2H3,(H4,21,22,23,24)
InChIKeyQPSLTLISHTUAEM-UHFFFAOYSA-N
XLogP2.69
TPSA116.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine (CID 67301909) is 5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine is Cc1noc(C)c1CN1CCC(COc2cccc3nc(N)nc(N)c23)CC1.
What is the InChIKey of 5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
The InChIKey is QPSLTLISHTUAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-12-15(13(2)28-25-12)10-26-8-6-14(7-9-26)11-27-17-5-3-4-16-18(17)19(21)24-20(22)23-16/h3-5,14H,6-11H2,1-2H3,(H4,21,22,23,24).
What are the key properties of 5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine?
5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine has a molecular weight of 382.47 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 67301909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).