[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

C19H24N4O3 — CID 110116486

IUPAC[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
SMILESCc1cc(CCC2CN(C(=O)c3noc4c3CCCC4)CCO2)ncn1
InChIInChI=1S/C19H24N4O3/c1-13-10-14(21-12-20-13)6-7-15-11-23(8-9-25-15)19(24)18-16-4-2-3-5-17(16)26-22-18/h10,12,15H,2-9,11H2,1H3
InChIKeyWWXVUWTXXXVNRK-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.13
Rot. Bonds4

About [2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone (PubChem CID 110116486) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is [2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone.

Molecular Properties

Compound Name[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
PubChem CID110116486
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
SMILESCc1cc(CCC2CN(C(=O)c3noc4c3CCCC4)CCO2)ncn1
InChIInChI=1S/C19H24N4O3/c1-13-10-14(21-12-20-13)6-7-15-11-23(8-9-25-15)19(24)18-16-4-2-3-5-17(16)26-22-18/h10,12,15H,2-9,11H2,1H3
InChIKeyWWXVUWTXXXVNRK-UHFFFAOYSA-N
XLogP2.13
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The IUPAC name of [2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone (CID 110116486) is [2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone.
What is the SMILES notation for [2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The canonical SMILES for [2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone is Cc1cc(CCC2CN(C(=O)c3noc4c3CCCC4)CCO2)ncn1.
What is the InChIKey of [2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The InChIKey is WWXVUWTXXXVNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13-10-14(21-12-20-13)6-7-15-11-23(8-9-25-15)19(24)18-16-4-2-3-5-17(16)26-22-18/h10,12,15H,2-9,11H2,1H3.
What are the key properties of [2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone has a molecular weight of 356.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone is sourced from PubChem (CID 110116486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).