[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-piperidin-1-ylpyrimidin-4-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone

C23H31N5O3 — CID 92554578

IUPAC[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-piperidin-1-ylpyrimidin-4-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCc1cc(-c2cnc(N3CCCCC3)nc2C2CCN(C(=O)[C@H]3CCCO3)CC2)on1
InChIInChI=1S/C23H31N5O3/c1-16-14-20(31-26-16)18-15-24-23(28-9-3-2-4-10-28)25-21(18)17-7-11-27(12-8-17)22(29)19-6-5-13-30-19/h14-15,17,19H,2-13H2,1H3/t19-/m1/s1
InChIKeySYCYMLLHPPLONH-LJQANCHMSA-N
MW425.53 g/mol
LogP3.32
Rot. Bonds4

About [4-[5-(3-methyl-1,2-oxazol-5-yl)-2-piperidin-1-ylpyrimidin-4-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone

[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-piperidin-1-ylpyrimidin-4-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 92554578) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is [4-[5-(3-methyl-1,2-oxazol-5-yl)-2-piperidin-1-ylpyrimidin-4-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-piperidin-1-ylpyrimidin-4-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID92554578
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC Name[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-piperidin-1-ylpyrimidin-4-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCc1cc(-c2cnc(N3CCCCC3)nc2C2CCN(C(=O)[C@H]3CCCO3)CC2)on1
InChIInChI=1S/C23H31N5O3/c1-16-14-20(31-26-16)18-15-24-23(28-9-3-2-4-10-28)25-21(18)17-7-11-27(12-8-17)22(29)19-6-5-13-30-19/h14-15,17,19H,2-13H2,1H3/t19-/m1/s1
InChIKeySYCYMLLHPPLONH-LJQANCHMSA-N
XLogP3.32
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[5-(3-methyl-1,2-oxazol-5-yl)-2-piperidin-1-ylpyrimidin-4-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(2R)-N-[1-[4-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperidin-4-yl]oxolane-2-carboxamide
CID 92554375
5-[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-2-piperidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 95803023
[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 46952682
cyclohexyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidin-1-yl]methanone
CID 110219773
cyclopropyl-[3-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110219984
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
furan-2-yl-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 46952660
5-[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 92554598
4-[5-(3-methyl-1,2-oxazol-5-yl)-4-(1-propylpiperidin-4-yl)pyrimidin-2-yl]morpholine
CID 45488393
1-[5-(3-methyl-1,2-oxazol-5-yl)-4-[(2R)-oxolan-2-yl]pyrimidin-2-yl]piperidin-3-ol
CID 46960986
tert-butyl 3-[5-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]piperidine-1-carboxylate
CID 110219988
1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 122186922

Frequently Asked Questions

What is the IUPAC name of [4-[5-(3-methyl-1,2-oxazol-5-yl)-2-piperidin-1-ylpyrimidin-4-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [4-[5-(3-methyl-1,2-oxazol-5-yl)-2-piperidin-1-ylpyrimidin-4-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone (CID 92554578) is [4-[5-(3-methyl-1,2-oxazol-5-yl)-2-piperidin-1-ylpyrimidin-4-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-[5-(3-methyl-1,2-oxazol-5-yl)-2-piperidin-1-ylpyrimidin-4-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [4-[5-(3-methyl-1,2-oxazol-5-yl)-2-piperidin-1-ylpyrimidin-4-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone is Cc1cc(-c2cnc(N3CCCCC3)nc2C2CCN(C(=O)[C@H]3CCCO3)CC2)on1.
What is the InChIKey of [4-[5-(3-methyl-1,2-oxazol-5-yl)-2-piperidin-1-ylpyrimidin-4-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is SYCYMLLHPPLONH-LJQANCHMSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-16-14-20(31-26-16)18-15-24-23(28-9-3-2-4-10-28)25-21(18)17-7-11-27(12-8-17)22(29)19-6-5-13-30-19/h14-15,17,19H,2-13H2,1H3/t19-/m1/s1.
What are the key properties of [4-[5-(3-methyl-1,2-oxazol-5-yl)-2-piperidin-1-ylpyrimidin-4-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-piperidin-1-ylpyrimidin-4-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 425.53 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3-methyl-1,2-oxazol-5-yl)-2-piperidin-1-ylpyrimidin-4-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 92554578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).