[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone

C20H24N4O3 — CID 53168361

IUPAC[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1oc(C2CCN(C(=O)c3ccncc3)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C20H24N4O3/c1-14-17(20(26)23-10-2-3-11-23)22-18(27-14)15-6-12-24(13-7-15)19(25)16-4-8-21-9-5-16/h4-5,8-9,15H,2-3,6-7,10-13H2,1H3
InChIKeyVWQNQEUWKKRLIW-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.63
Rot. Bonds3

About [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone

[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 53168361) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID53168361
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1oc(C2CCN(C(=O)c3ccncc3)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C20H24N4O3/c1-14-17(20(26)23-10-2-3-11-23)22-18(27-14)15-6-12-24(13-7-15)19(25)16-4-8-21-9-5-16/h4-5,8-9,15H,2-3,6-7,10-13H2,1H3
InChIKeyVWQNQEUWKKRLIW-UHFFFAOYSA-N
XLogP2.63
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

(2S)-5-(diaminomethylideneamino)-2-[[5-methyl-2-[(1S)-3-methyl-1-(pyridine-4-carbonylamino)butyl]-1,3-oxazole-4-carbonyl]amino]pentanoic acid
CID 89570421
2,5-dimethyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
CID 117609598
5-methyl-N-{[(2S)-5-oxo-2-pyrrolidinyl]methyl}-N-(3-pyridinylmethyl)-1,3-oxazole-4-carboxamide
CID 29085707
5-Methyl-2-(propan-2-YL)-N-[(pyridin-4-YL)methyl]-1,3-oxazole-4-carboxamide
CID 53195196
1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]-N-(4-pyridinylmethyl)-2-piperazinecarboxamide
CID 56884395
[2-(Cyclopropylmethoxymethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-(3-fluoro-4-pyridinyl)methanone
CID 97406050
(3-Fluoro-4-pyridinyl)-[2-(piperidin-1-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methanone
CID 97406077
[2-(4-Methylpiperazine-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone
CID 97442833
[2-(4-Methyl-1,4-diazepane-1-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-pyridin-3-ylmethanone
CID 97442834
[2-[(Dimethylamino)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-(3-fluoro-4-pyridinyl)methanone
CID 97520331
[2-(Diethylaminomethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]-(3-fluoro-4-pyridinyl)methanone
CID 97520338
5-(pyridine-3-carbonyl)-N-(pyridin-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97525793

Frequently Asked Questions

What is the IUPAC name of [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 53168361) is [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone is Cc1oc(C2CCN(C(=O)c3ccncc3)CC2)nc1C(=O)N1CCCC1.
What is the InChIKey of [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is VWQNQEUWKKRLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14-17(20(26)23-10-2-3-11-23)22-18(27-14)15-6-12-24(13-7-15)19(25)16-4-8-21-9-5-16/h4-5,8-9,15H,2-3,6-7,10-13H2,1H3.
What are the key properties of [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 368.44 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 53168361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).