(2-butyl-2,5-dihydropyrrol-1-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone

C15H22N2O2 — CID 77085631

IUPAC(2-butyl-2,5-dihydropyrrol-1-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone
SMILESCCCCC1C=CCN1C(=O)c1oc(CC)nc1C
InChIInChI=1S/C15H22N2O2/c1-4-6-8-12-9-7-10-17(12)15(18)14-11(3)16-13(5-2)19-14/h7,9,12H,4-6,8,10H2,1-3H3
InChIKeyXEIZPIVTAAKDEC-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.12
Rot. Bonds5

About (2-butyl-2,5-dihydropyrrol-1-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone

(2-butyl-2,5-dihydropyrrol-1-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 77085631) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2-butyl-2,5-dihydropyrrol-1-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name(2-butyl-2,5-dihydropyrrol-1-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID77085631
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2-butyl-2,5-dihydropyrrol-1-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone
SMILESCCCCC1C=CCN1C(=O)c1oc(CC)nc1C
InChIInChI=1S/C15H22N2O2/c1-4-6-8-12-9-7-10-17(12)15(18)14-11(3)16-13(5-2)19-14/h7,9,12H,4-6,8,10H2,1-3H3
InChIKeyXEIZPIVTAAKDEC-UHFFFAOYSA-N
XLogP3.12
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[3-(2-butyl-2,5-dihydropyrrole-1-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 74238564
[(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone
CID 95549980
[(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 97156870
3-[(2S)-2-butyl-2,5-dihydropyrrole-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 95217019
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 70704985
[(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-(1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)methanone
CID 97209841
(2-butyl-2,5-dihydropyrrol-1-yl)-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]methanone
CID 70748805
5-[[[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 126432982
[(2S)-2-butyl-2,5-dihydropyrrol-1-yl]-[3-[2-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]phenyl]methanone
CID 125443739
(2-butyl-2,5-dihydropyrrol-1-yl)-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 74251163
(3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one
CID 99928818
[(2S)-2-butyl-2,5-dihydropyrrol-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 95550344

Frequently Asked Questions

What is the IUPAC name of (2-butyl-2,5-dihydropyrrol-1-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of (2-butyl-2,5-dihydropyrrol-1-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone (CID 77085631) is (2-butyl-2,5-dihydropyrrol-1-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for (2-butyl-2,5-dihydropyrrol-1-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for (2-butyl-2,5-dihydropyrrol-1-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone is CCCCC1C=CCN1C(=O)c1oc(CC)nc1C.
What is the InChIKey of (2-butyl-2,5-dihydropyrrol-1-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is XEIZPIVTAAKDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-6-8-12-9-7-10-17(12)15(18)14-11(3)16-13(5-2)19-14/h7,9,12H,4-6,8,10H2,1-3H3.
What are the key properties of (2-butyl-2,5-dihydropyrrol-1-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone?
(2-butyl-2,5-dihydropyrrol-1-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-2,5-dihydropyrrol-1-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 77085631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).