[3-(oxan-4-yl)pyrrolidin-1-yl]-(5-piperidin-4-yl-1,3-oxazol-4-yl)methanone

C18H27N3O3 — CID 167879614

IUPAC[3-(oxan-4-yl)pyrrolidin-1-yl]-(5-piperidin-4-yl-1,3-oxazol-4-yl)methanone
SMILESO=C(c1ncoc1C1CCNCC1)N1CCC(C2CCOCC2)C1
InChIInChI=1S/C18H27N3O3/c22-18(16-17(24-12-20-16)14-1-6-19-7-2-14)21-8-3-15(11-21)13-4-9-23-10-5-13/h12-15,19H,1-11H2
InChIKeyXRALIPFLYXQDIJ-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.03
Rot. Bonds3

About [3-(oxan-4-yl)pyrrolidin-1-yl]-(5-piperidin-4-yl-1,3-oxazol-4-yl)methanone

[3-(oxan-4-yl)pyrrolidin-1-yl]-(5-piperidin-4-yl-1,3-oxazol-4-yl)methanone (PubChem CID 167879614) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is [3-(oxan-4-yl)pyrrolidin-1-yl]-(5-piperidin-4-yl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(oxan-4-yl)pyrrolidin-1-yl]-(5-piperidin-4-yl-1,3-oxazol-4-yl)methanone
PubChem CID167879614
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name[3-(oxan-4-yl)pyrrolidin-1-yl]-(5-piperidin-4-yl-1,3-oxazol-4-yl)methanone
SMILESO=C(c1ncoc1C1CCNCC1)N1CCC(C2CCOCC2)C1
InChIInChI=1S/C18H27N3O3/c22-18(16-17(24-12-20-16)14-1-6-19-7-2-14)21-8-3-15(11-21)13-4-9-23-10-5-13/h12-15,19H,1-11H2
InChIKeyXRALIPFLYXQDIJ-UHFFFAOYSA-N
XLogP2.03
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(oxan-4-yl)pyrrolidin-1-yl]-(5-piperidin-4-yl-1,3-oxazol-4-yl)methanone with MolForge

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Related Compounds

1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl-[3-(oxan-4-yl)pyrrolidin-1-yl]methanone
CID 167975848
oxan-4-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone
CID 167312068
(5-cyclopropyl-1,3-oxazol-4-yl)-[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 72886665
[(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 96580317
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone
CID 70728098
N-(4-piperazin-1-yl-2-pyridinyl)-5-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 167943236
5-piperidin-4-yl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-1,3-oxazole-4-carboxamide
CID 167939765
[4-(1-adamantyl)piperazin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone
CID 56908974
methyl 3-piperidin-4-ylpyrrolidine-1-carboxylate
CID 115269595
[3-(oxan-4-yl)azepan-1-yl]-(1H-pyrazol-4-yl)methanone
CID 138056597
morpholin-4-yl-(5-piperidin-4-yl-1H-pyrazol-3-yl)methanone
CID 119106388
1-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-2-(4-piperidin-4-ylpiperidin-1-yl)ethane-1,2-dione
CID 167755493

Frequently Asked Questions

What is the IUPAC name of [3-(oxan-4-yl)pyrrolidin-1-yl]-(5-piperidin-4-yl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [3-(oxan-4-yl)pyrrolidin-1-yl]-(5-piperidin-4-yl-1,3-oxazol-4-yl)methanone (CID 167879614) is [3-(oxan-4-yl)pyrrolidin-1-yl]-(5-piperidin-4-yl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [3-(oxan-4-yl)pyrrolidin-1-yl]-(5-piperidin-4-yl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [3-(oxan-4-yl)pyrrolidin-1-yl]-(5-piperidin-4-yl-1,3-oxazol-4-yl)methanone is O=C(c1ncoc1C1CCNCC1)N1CCC(C2CCOCC2)C1.
What is the InChIKey of [3-(oxan-4-yl)pyrrolidin-1-yl]-(5-piperidin-4-yl-1,3-oxazol-4-yl)methanone?
The InChIKey is XRALIPFLYXQDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c22-18(16-17(24-12-20-16)14-1-6-19-7-2-14)21-8-3-15(11-21)13-4-9-23-10-5-13/h12-15,19H,1-11H2.
What are the key properties of [3-(oxan-4-yl)pyrrolidin-1-yl]-(5-piperidin-4-yl-1,3-oxazol-4-yl)methanone?
[3-(oxan-4-yl)pyrrolidin-1-yl]-(5-piperidin-4-yl-1,3-oxazol-4-yl)methanone has a molecular weight of 333.43 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxan-4-yl)pyrrolidin-1-yl]-(5-piperidin-4-yl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 167879614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).