[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone

C19H26N4O3 — CID 110113584

IUPAC[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(N(C)C)cc(C2CN(C(=O)c3cc(C(C)C)no3)CCO2)n1
InChIInChI=1S/C19H26N4O3/c1-12(2)15-10-17(26-21-15)19(24)23-6-7-25-18(11-23)16-9-14(22(4)5)8-13(3)20-16/h8-10,12,18H,6-7,11H2,1-5H3
InChIKeyJUUNCQIYEHDKGN-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.78
Rot. Bonds4

About [2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone

[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone (PubChem CID 110113584) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is [2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
PubChem CID110113584
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(N(C)C)cc(C2CN(C(=O)c3cc(C(C)C)no3)CCO2)n1
InChIInChI=1S/C19H26N4O3/c1-12(2)15-10-17(26-21-15)19(24)23-6-7-25-18(11-23)16-9-14(22(4)5)8-13(3)20-16/h8-10,12,18H,6-7,11H2,1-5H3
InChIKeyJUUNCQIYEHDKGN-UHFFFAOYSA-N
XLogP2.78
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone (CID 110113584) is [2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone is Cc1cc(N(C)C)cc(C2CN(C(=O)c3cc(C(C)C)no3)CCO2)n1.
What is the InChIKey of [2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
The InChIKey is JUUNCQIYEHDKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-12(2)15-10-17(26-21-15)19(24)23-6-7-25-18(11-23)16-9-14(22(4)5)8-13(3)20-16/h8-10,12,18H,6-7,11H2,1-5H3.
What are the key properties of [2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone?
[2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone has a molecular weight of 358.44 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylamino)-6-methyl-2-pyridinyl]morpholin-4-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 110113584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).