1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]ethanone

C23H27N7O3 — CID 92554706

IUPAC1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ncc(-c3cc(C)no3)c(-c3ccc(N4CCOCC4)nc3)n2)CC1
InChIInChI=1S/C23H27N7O3/c1-16-13-20(33-27-16)19-15-25-23(30-7-5-28(6-8-30)17(2)31)26-22(19)18-3-4-21(24-14-18)29-9-11-32-12-10-29/h3-4,13-15H,5-12H2,1-2H3
InChIKeyOMIINXSDNFDOAT-UHFFFAOYSA-N
MW449.52 g/mol
LogP2.01
Rot. Bonds4

About 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]ethanone

1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]ethanone (PubChem CID 92554706) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
PubChem CID92554706
Molecular FormulaC23H27N7O3
Molecular Weight449.52 g/mol
Exact Mass449.22
IUPAC Name1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ncc(-c3cc(C)no3)c(-c3ccc(N4CCOCC4)nc3)n2)CC1
InChIInChI=1S/C23H27N7O3/c1-16-13-20(33-27-16)19-15-25-23(30-7-5-28(6-8-30)17(2)31)26-22(19)18-3-4-21(24-14-18)29-9-11-32-12-10-29/h3-4,13-15H,5-12H2,1-2H3
InChIKeyOMIINXSDNFDOAT-UHFFFAOYSA-N
XLogP2.01
TPSA100.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

4-[5-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]-2-pyridinyl]morpholine
CID 46981766
5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)-N-propan-2-ylpyrimidin-2-amine
CID 92554710
N-(3-methoxypropyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
CID 92554712
[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 46952682
2,2-dimethyl-1-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 51584557
cyclohexyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 110219773
furan-2-yl-[(3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 51584583
furan-2-yl-[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 51584582
[(3R)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 92554492
tert-butyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidine-1-carboxylate
CID 110219988
4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-propylpiperidin-4-yl)pyrimidin-2-yl]morpholine
CID 45488393
5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid
CID 118695317

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]ethanone (CID 92554706) is 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ncc(-c3cc(C)no3)c(-c3ccc(N4CCOCC4)nc3)n2)CC1.
What is the InChIKey of 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is OMIINXSDNFDOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3/c1-16-13-20(33-27-16)19-15-25-23(30-7-5-28(6-8-30)17(2)31)26-22(19)18-3-4-21(24-14-18)29-9-11-32-12-10-29/h3-4,13-15H,5-12H2,1-2H3.
What are the key properties of 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 449.52 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 92554706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).