1-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]pyrrolidin-2-one

C18H23N3O2 — CID 71979901

IUPAC1-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]pyrrolidin-2-one
SMILESCC(C)(C)c1cnc(CNc2ccc(N3CCCC3=O)cc2)o1
InChIInChI=1S/C18H23N3O2/c1-18(2,3)15-11-20-16(23-15)12-19-13-6-8-14(9-7-13)21-10-4-5-17(21)22/h6-9,11,19H,4-5,10,12H2,1-3H3
InChIKeyRUJNDZFPKBSSKW-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.71
Rot. Bonds4

About 1-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]pyrrolidin-2-one

1-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]pyrrolidin-2-one (PubChem CID 71979901) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]pyrrolidin-2-one
PubChem CID71979901
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]pyrrolidin-2-one
SMILESCC(C)(C)c1cnc(CNc2ccc(N3CCCC3=O)cc2)o1
InChIInChI=1S/C18H23N3O2/c1-18(2,3)15-11-20-16(23-15)12-19-13-6-8-14(9-7-13)21-10-4-5-17(21)22/h6-9,11,19H,4-5,10,12H2,1-3H3
InChIKeyRUJNDZFPKBSSKW-UHFFFAOYSA-N
XLogP3.71
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-phenylurea
CID 47070693
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylaniline
CID 72107248
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-fluoro-N-methylaniline
CID 52877914
2-[(5-tert-butyl-1,3-oxazol-2-yl)methyl-methylamino]-N-(3,5-difluorophenyl)acetamide
CID 53579650
methyl N-[3-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]carbamate
CID 71973373
2-[N-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]anilino]acetic acid
CID 121922201
(3S)-1-benzyl-N-[(2-ethyl-1,3-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 164638987
N-[[(5S)-3-[3-fluoro-4-[4-(2-methyl-1,3-oxazole-5-carbothioyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10479425
N-[[3-[3-fluoro-4-[4-(2-methyl-1,3-oxazole-5-carbothioyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 85154322
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 47056587
5-Tert-butyl-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 52163031
5-Tert-butyl-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 52163037

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]pyrrolidin-2-one (CID 71979901) is 1-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]pyrrolidin-2-one is CC(C)(C)c1cnc(CNc2ccc(N3CCCC3=O)cc2)o1.
What is the InChIKey of 1-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]pyrrolidin-2-one?
The InChIKey is RUJNDZFPKBSSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-18(2,3)15-11-20-16(23-15)12-19-13-6-8-14(9-7-13)21-10-4-5-17(21)22/h6-9,11,19H,4-5,10,12H2,1-3H3.
What are the key properties of 1-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]pyrrolidin-2-one?
1-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]pyrrolidin-2-one has a molecular weight of 313.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 71979901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).