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

C22H29N5O3 — CID 165401411

IUPAC2-[4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1cc(-c2cnc(C3CC3)nc2C2CCN(CC(=O)N3CCOCC3)CC2)on1
InChIInChI=1S/C22H29N5O3/c1-15-12-19(30-25-15)18-13-23-22(17-2-3-17)24-21(18)16-4-6-26(7-5-16)14-20(28)27-8-10-29-11-9-27/h12-13,16-17H,2-11,14H2,1H3
InChIKeyGYIYZWNYLZCQDU-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.36
Rot. Bonds5

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

2-[4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 165401411) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-[4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID165401411
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name2-[4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1cc(-c2cnc(C3CC3)nc2C2CCN(CC(=O)N3CCOCC3)CC2)on1
InChIInChI=1S/C22H29N5O3/c1-15-12-19(30-25-15)18-13-23-22(17-2-3-17)24-21(18)16-4-6-26(7-5-16)14-20(28)27-8-10-29-11-9-27/h12-13,16-17H,2-11,14H2,1H3
InChIKeyGYIYZWNYLZCQDU-UHFFFAOYSA-N
XLogP2.36
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[2-Ethyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 165401423
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
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
[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
US11306078, Example 7.006
CID 141677943
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-ethylphenyl)-N-(2-morpholin-4-ylpyrimidin-4-yl)-1,2-oxazol-5-amine
CID 156368981
4-[5-(3-Methyl-1,2-oxazol-5-yl)-4-(1-propylpiperidin-4-yl)pyrimidin-2-yl]morpholine
CID 45488393
2-{4-[2-Methyl-5-(3-methyl-1,2-oxazol-5-YL)pyrimidin-4-YL]piperidin-1-YL}-1-(morpholin-4-YL)ethanone
CID 16670031

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-cyclopropyl-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-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone (CID 165401411) is 2-[4-[2-cyclopropyl-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-cyclopropyl-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-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone is Cc1cc(-c2cnc(C3CC3)nc2C2CCN(CC(=O)N3CCOCC3)CC2)on1.
What is the InChIKey of 2-[4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is GYIYZWNYLZCQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-15-12-19(30-25-15)18-13-23-22(17-2-3-17)24-21(18)16-4-6-26(7-5-16)14-20(28)27-8-10-29-11-9-27/h12-13,16-17H,2-11,14H2,1H3.
What are the key properties of 2-[4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone?
2-[4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 411.51 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 165401411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).