[(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone

C16H24N2O2 — CID 97156870

IUPAC[(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
SMILESCCCC[C@@H]1C=CCN1C(=O)c1cc(CC(C)C)no1
InChIInChI=1S/C16H24N2O2/c1-4-5-7-14-8-6-9-18(14)16(19)15-11-13(17-20-15)10-12(2)3/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3/t14-/m1/s1
InChIKeyLDJVKKIKYAZXSM-CQSZACIVSA-N
MW276.38 g/mol
LogP3.44
Rot. Bonds6

About [(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone

[(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone (PubChem CID 97156870) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
PubChem CID97156870
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
SMILESCCCC[C@@H]1C=CCN1C(=O)c1cc(CC(C)C)no1
InChIInChI=1S/C16H24N2O2/c1-4-5-7-14-8-6-9-18(14)16(19)15-11-13(17-20-15)10-12(2)3/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3/t14-/m1/s1
InChIKeyLDJVKKIKYAZXSM-CQSZACIVSA-N
XLogP3.44
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.44
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

[(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-(2-propan-2-ylpyrimidin-4-yl)methanone
CID 95549980
3-[(2S)-2-butyl-2,5-dihydropyrrole-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 95217019
methyl 1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylate
CID 50963151
(2-butyl-2,5-dihydropyrrol-1-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone
CID 77085631
[(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
[3-(2-butyl-2,5-dihydropyrrole-1-carbonyl)pyrazin-2-yl]-piperidin-1-ylmethanone
CID 74238564
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 70746719
2-[4-[(2R)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]-N-methylpyridine-4-carboxamide
CID 126430092
[(1S,5R)-6-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]-phenylmethanone
CID 72867738
(6S)-1-methyl-4-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-1,4-diazepane-6-carboxamide
CID 124946177
(1R,5R)-3-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-3,9-diazabicyclo[3.3.2]decan-10-one
CID 70727364
[(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-(1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)methanone
CID 97209841

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone?
The IUPAC name of [(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone (CID 97156870) is [(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for [(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone is CCCC[C@@H]1C=CCN1C(=O)c1cc(CC(C)C)no1.
What is the InChIKey of [(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone?
The InChIKey is LDJVKKIKYAZXSM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-5-7-14-8-6-9-18(14)16(19)15-11-13(17-20-15)10-12(2)3/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3/t14-/m1/s1.
What are the key properties of [(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone?
[(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 97156870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).