1-[3-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one

C20H27N3O2 — CID 75471690

IUPAC1-[3-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
SMILESCC(NCc1ncc(C(C)(C)C)o1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H27N3O2/c1-14(21-13-18-22-12-17(25-18)20(2,3)4)15-7-5-8-16(11-15)23-10-6-9-19(23)24/h5,7-8,11-12,14,21H,6,9-10,13H2,1-4H3
InChIKeyPPZKAHAEOLUMEX-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.95
Rot. Bonds5

About 1-[3-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one

1-[3-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one (PubChem CID 75471690) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[3-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
PubChem CID75471690
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-[3-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
SMILESCC(NCc1ncc(C(C)(C)C)o1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H27N3O2/c1-14(21-13-18-22-12-17(25-18)20(2,3)4)15-7-5-8-16(11-15)23-10-6-9-19(23)24/h5,7-8,11-12,14,21H,6,9-10,13H2,1-4H3
InChIKeyPPZKAHAEOLUMEX-UHFFFAOYSA-N
XLogP3.95
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
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5-[[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]methyl]furan-3-carboxamide
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1-[3-[(1R)-1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)ethyl]phenyl]pyrrolidin-2-one
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1-[3-[1-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]pyrrolidin-2-one
CID 75515714
1-[3-[1-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]phenyl]pyrrolidin-2-one
CID 126798109
2-amino-2-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride
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2-(cyclopropylmethylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide
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6-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylamino]pyridine-2-carboxylic acid
CID 122053307
1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
CID 113352085
2-methyl-3-(methylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119756000
1-[4-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one (CID 75471690) is 1-[3-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one is CC(NCc1ncc(C(C)(C)C)o1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of 1-[3-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
The InChIKey is PPZKAHAEOLUMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14(21-13-18-22-12-17(25-18)20(2,3)4)15-7-5-8-16(11-15)23-10-6-9-19(23)24/h5,7-8,11-12,14,21H,6,9-10,13H2,1-4H3.
What are the key properties of 1-[3-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one?
1-[3-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one has a molecular weight of 341.46 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]ethyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 75471690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).