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

C14H16N4O3 — CID 125027257

IUPAC[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
SMILESCc1cc(N)cc([C@@H]2CN(C(=O)c3cnco3)CCO2)n1
InChIInChI=1S/C14H16N4O3/c1-9-4-10(15)5-11(17-9)13-7-18(2-3-20-13)14(19)12-6-16-8-21-12/h4-6,8,13H,2-3,7H2,1H3,(H2,15,17)/t13-/m0/s1
InChIKeyZZLLISLLKKNPNO-ZDUSSCGKSA-N
MW288.31 g/mol
LogP1.17
Rot. Bonds2

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

[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1,3-oxazol-5-yl)methanone (PubChem CID 125027257) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is [(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
PubChem CID125027257
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
SMILESCc1cc(N)cc([C@@H]2CN(C(=O)c3cnco3)CCO2)n1
InChIInChI=1S/C14H16N4O3/c1-9-4-10(15)5-11(17-9)13-7-18(2-3-20-13)14(19)12-6-16-8-21-12/h4-6,8,13H,2-3,7H2,1H3,(H2,15,17)/t13-/m0/s1
InChIKeyZZLLISLLKKNPNO-ZDUSSCGKSA-N
XLogP1.17
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1,3-oxazol-5-yl)methanone?
The IUPAC name of [(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1,3-oxazol-5-yl)methanone (CID 125027257) is [(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1,3-oxazol-5-yl)methanone is Cc1cc(N)cc([C@@H]2CN(C(=O)c3cnco3)CCO2)n1.
What is the InChIKey of [(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1,3-oxazol-5-yl)methanone?
The InChIKey is ZZLLISLLKKNPNO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-4-10(15)5-11(17-9)13-7-18(2-3-20-13)14(19)12-6-16-8-21-12/h4-6,8,13H,2-3,7H2,1H3,(H2,15,17)/t13-/m0/s1.
What are the key properties of [(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1,3-oxazol-5-yl)methanone?
[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1,3-oxazol-5-yl)methanone has a molecular weight of 288.31 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 125027257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).