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

C17H22N4O3 — CID 110112377

IUPAC[2-(6-amino-2-pyridinyl)morpholin-4-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(C(C)C)c1C(=O)N1CCOC(c2cccc(N)n2)C1
InChIInChI=1S/C17H22N4O3/c1-10(2)16-15(11(3)24-20-16)17(22)21-7-8-23-13(9-21)12-5-4-6-14(18)19-12/h4-6,10,13H,7-9H2,1-3H3,(H2,18,19)
InChIKeyPBEUSTLWIIODNT-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.30
Rot. Bonds3

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

[2-(6-amino-2-pyridinyl)morpholin-4-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone (PubChem CID 110112377) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is [2-(6-amino-2-pyridinyl)morpholin-4-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(6-amino-2-pyridinyl)morpholin-4-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
PubChem CID110112377
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name[2-(6-amino-2-pyridinyl)morpholin-4-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
SMILESCc1onc(C(C)C)c1C(=O)N1CCOC(c2cccc(N)n2)C1
InChIInChI=1S/C17H22N4O3/c1-10(2)16-15(11(3)24-20-16)17(22)21-7-8-23-13(9-21)12-5-4-6-14(18)19-12/h4-6,10,13H,7-9H2,1-3H3,(H2,18,19)
InChIKeyPBEUSTLWIIODNT-UHFFFAOYSA-N
XLogP2.30
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 125011005
N,N-dimethyl-2-[(2R)-4-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92639254
N,N-dimethyl-2-[4-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 110251734
[(2R)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-(2-methylpyrimidin-4-yl)methanone
CID 125016179
[(2R)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
CID 124988458
tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate
CID 129322939
3-[(2S)-2-(6-amino-2-pyridinyl)morpholine-4-carbonyl]-1,6-dimethylpyridin-2-one
CID 124987060
[2-(6-amino-2-pyridinyl)morpholin-4-yl]-pyrimidin-4-ylmethanone
CID 110112317
(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
CID 124993832
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(2-phenylmorpholin-4-yl)methanone
CID 47021336
[2-(3-aminopyrazin-2-yl)morpholin-4-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 110112797
1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 110112351

Frequently Asked Questions

What is the IUPAC name of [2-(6-amino-2-pyridinyl)morpholin-4-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [2-(6-amino-2-pyridinyl)morpholin-4-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone (CID 110112377) is [2-(6-amino-2-pyridinyl)morpholin-4-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [2-(6-amino-2-pyridinyl)morpholin-4-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [2-(6-amino-2-pyridinyl)morpholin-4-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone is Cc1onc(C(C)C)c1C(=O)N1CCOC(c2cccc(N)n2)C1.
What is the InChIKey of [2-(6-amino-2-pyridinyl)morpholin-4-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone?
The InChIKey is PBEUSTLWIIODNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-10(2)16-15(11(3)24-20-16)17(22)21-7-8-23-13(9-21)12-5-4-6-14(18)19-12/h4-6,10,13H,7-9H2,1-3H3,(H2,18,19).
What are the key properties of [2-(6-amino-2-pyridinyl)morpholin-4-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone?
[2-(6-amino-2-pyridinyl)morpholin-4-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone has a molecular weight of 330.39 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-amino-2-pyridinyl)morpholin-4-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 110112377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).