(5-methyl-1,2-oxazol-3-yl)-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone

C17H21N5O3 — CID 129334104

IUPAC(5-methyl-1,2-oxazol-3-yl)-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)no1
InChIInChI=1S/C17H21N5O3/c1-12-10-14(20-25-12)16(23)22-8-9-24-15(11-22)13-4-5-18-17(19-13)21-6-2-3-7-21/h4-5,10,15H,2-3,6-9,11H2,1H3/t15-/m0/s1
InChIKeyNDHWRUXICJFLFR-HNNXBMFYSA-N
MW343.39 g/mol
LogP1.59
Rot. Bonds3

About (5-methyl-1,2-oxazol-3-yl)-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone

(5-methyl-1,2-oxazol-3-yl)-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone (PubChem CID 129334104) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
PubChem CID129334104
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)no1
InChIInChI=1S/C17H21N5O3/c1-12-10-14(20-25-12)16(23)22-8-9-24-15(11-22)13-4-5-18-17(19-13)21-6-2-3-7-21/h4-5,10,15H,2-3,6-9,11H2,1H3/t15-/m0/s1
InChIKeyNDHWRUXICJFLFR-HNNXBMFYSA-N
XLogP1.59
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-4-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carbonyl]-1H-pyrimidin-2-one
CID 128993964
(5-propan-2-yl-1H-pyrazol-3-yl)-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 129331728
3-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carbonyl]benzonitrile
CID 128974450
(2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide
CID 129341515
1-benzofuran-3-yl-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 128967255
N-(1-methyl-2-oxopyrrolidin-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide
CID 128990958
[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 110115860
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide
CID 128992772
[(1R,2R)-2-cyclopropylcyclopropyl]-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 129338509
(2R)-1-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]-2-thiophen-2-ylpropan-1-one
CID 129340939
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 125024334
[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 129328387

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone (CID 129334104) is (5-methyl-1,2-oxazol-3-yl)-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone is Cc1cc(C(=O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone?
The InChIKey is NDHWRUXICJFLFR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-12-10-14(20-25-12)16(23)22-8-9-24-15(11-22)13-4-5-18-17(19-13)21-6-2-3-7-21/h4-5,10,15H,2-3,6-9,11H2,1H3/t15-/m0/s1.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone?
(5-methyl-1,2-oxazol-3-yl)-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone has a molecular weight of 343.39 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 129334104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).