2-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone

C20H27N5O3 — CID 16670031

IUPAC2-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1cc(-c2cnc(C)nc2C2CCN(CC(=O)N3CCOCC3)CC2)on1
InChIInChI=1S/C20H27N5O3/c1-14-11-18(28-23-14)17-12-21-15(2)22-20(17)16-3-5-24(6-4-16)13-19(26)25-7-9-27-10-8-25/h11-12,16H,3-10,13H2,1-2H3
InChIKeyWPQVNXMKHXSMKX-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.79
Rot. Bonds4

About 2-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone

2-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 16670031) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID16670031
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name2-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1cc(-c2cnc(C)nc2C2CCN(CC(=O)N3CCOCC3)CC2)on1
InChIInChI=1S/C20H27N5O3/c1-14-11-18(28-23-14)17-12-21-15(2)22-20(17)16-3-5-24(6-4-16)13-19(26)25-7-9-27-10-8-25/h11-12,16H,3-10,13H2,1-2H3
InChIKeyWPQVNXMKHXSMKX-UHFFFAOYSA-N
XLogP1.79
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,4-difluorophenyl)-N-[(3S,4S)-1-(2-methoxyethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 141678168
[4-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2,6-difluorophenyl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 58072811
2-[4-[2-Ethyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 165401423
3-Methyl-5-[4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidin-5-yl]-1,2-oxazole
CID 45488521
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1094867
(5-Methyl-3-phenyl-4-isoxazolyl)[4-(5-propyl-2-pyrimidinyl)piperazino]methanone
CID 2812701
(5-Methyl-3-phenyl-4-isoxazolyl)[4-(2-pyridinyl)piperazino]methanone
CID 2813463
[4-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 58073075
3-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-ylpyrimidin-4-yl)-1,2-oxazol-5-amine
CID 156368847
3-(4-methylphenyl)-N-(2-morpholin-4-ylpyrimidin-4-yl)-1,2-oxazol-5-amine
CID 156368882
3-(4-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylpyrimidin-4-yl)-1,2-oxazol-5-amine
CID 156368961
3-(4-ethylphenyl)-N-(2-morpholin-4-ylpyrimidin-4-yl)-1,2-oxazol-5-amine
CID 156368981

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone (CID 16670031) is 2-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone is Cc1cc(-c2cnc(C)nc2C2CCN(CC(=O)N3CCOCC3)CC2)on1.
What is the InChIKey of 2-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is WPQVNXMKHXSMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-14-11-18(28-23-14)17-12-21-15(2)22-20(17)16-3-5-24(6-4-16)13-19(26)25-7-9-27-10-8-25/h11-12,16H,3-10,13H2,1-2H3.
What are the key properties of 2-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
2-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 385.47 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 16670031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).