[3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C19H27N5O2 — CID 46975563

IUPAC[3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCCn1ncc(-c2cc(C(=O)N3CCC(N4CCCC4)CC3)on2)c1C
InChIInChI=1S/C19H27N5O2/c1-3-24-14(2)16(13-20-24)17-12-18(26-21-17)19(25)23-10-6-15(7-11-23)22-8-4-5-9-22/h12-13,15H,3-11H2,1-2H3
InChIKeyXXSHSCWARZWQEQ-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.57
Rot. Bonds4

About [3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

[3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 46975563) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is [3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID46975563
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name[3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCCn1ncc(-c2cc(C(=O)N3CCC(N4CCCC4)CC3)on2)c1C
InChIInChI=1S/C19H27N5O2/c1-3-24-14(2)16(13-20-24)17-12-18(26-21-17)19(25)23-10-6-15(7-11-23)22-8-4-5-9-22/h12-13,15H,3-11H2,1-2H3
InChIKeyXXSHSCWARZWQEQ-UHFFFAOYSA-N
XLogP2.57
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-[3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methanone
CID 46975560
3-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 92628426
3-(1-ethyl-5-methylpyrazol-4-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 92628432
(4-piperidin-1-ylpiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 78968357
(3-methyl-1,2-oxazol-5-yl)-[4-(oxan-4-yl)piperazin-1-yl]methanone
CID 136512064
(4-cyclopentyl-1,4-diazepan-1-yl)-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 71925428
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 92628344
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 90573953
[1-ethyl-3-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 29180510
N-(7-chloro-2-methyl-1-benzofuran-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-5-carboxamide
CID 46975556
(4-cyclopentylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 121184683
[(3R)-1-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 95554331

Frequently Asked Questions

What is the IUPAC name of [3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 46975563) is [3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is CCn1ncc(-c2cc(C(=O)N3CCC(N4CCCC4)CC3)on2)c1C.
What is the InChIKey of [3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is XXSHSCWARZWQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-3-24-14(2)16(13-20-24)17-12-18(26-21-17)19(25)23-10-6-15(7-11-23)22-8-4-5-9-22/h12-13,15H,3-11H2,1-2H3.
What are the key properties of [3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
[3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 357.46 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 46975563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).