4-(1,3-benzoxazol-2-ylamino)-1-tert-butylpyrrolidin-2-one

C15H19N3O2 — CID 133342194

IUPAC4-(1,3-benzoxazol-2-ylamino)-1-tert-butylpyrrolidin-2-one
SMILESCC(C)(C)N1CC(Nc2nc3ccccc3o2)CC1=O
InChIInChI=1S/C15H19N3O2/c1-15(2,3)18-9-10(8-13(18)19)16-14-17-11-6-4-5-7-12(11)20-14/h4-7,10H,8-9H2,1-3H3,(H,16,17)
InChIKeyVEWVXRRASZZFEK-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.64
Rot. Bonds2

About 4-(1,3-benzoxazol-2-ylamino)-1-tert-butylpyrrolidin-2-one

4-(1,3-benzoxazol-2-ylamino)-1-tert-butylpyrrolidin-2-one (PubChem CID 133342194) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-ylamino)-1-tert-butylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-ylamino)-1-tert-butylpyrrolidin-2-one
PubChem CID133342194
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-(1,3-benzoxazol-2-ylamino)-1-tert-butylpyrrolidin-2-one
SMILESCC(C)(C)N1CC(Nc2nc3ccccc3o2)CC1=O
InChIInChI=1S/C15H19N3O2/c1-15(2,3)18-9-10(8-13(18)19)16-14-17-11-6-4-5-7-12(11)20-14/h4-7,10H,8-9H2,1-3H3,(H,16,17)
InChIKeyVEWVXRRASZZFEK-UHFFFAOYSA-N
XLogP2.64
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1,3-benzoxazol-2-ylamino)-1-tert-butylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,3-benzoxazol-2-ylamino)cyclohexan-1-one
CID 138676621
tert-butyl (3S)-3-(1,3-benzoxazol-2-ylamino)pyrrolidine-1-carboxylate
CID 71629265
tert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate
CID 71629873
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzoxazol-2-amine
CID 133347923
N-pyrrolidin-3-yl-1,3-benzoxazol-2-amine
CID 62381342
N-(3-methoxycyclobutyl)-1,3-benzoxazol-2-amine
CID 104576711
(4R,5R)-4-(1,3-benzoxazol-2-ylamino)-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128980664
N-(2-cyclopropylpropan-2-yl)-1,3-benzoxazol-2-amine
CID 103703598
N-[4-(aminomethyl)cyclohexyl]-1,3-benzoxazol-2-amine
CID 70938493
N-(2,2-dimethyloxan-4-yl)-1,3-benzoxazol-2-amine
CID 115563724
N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine
CID 56815552
N-(1,1-dioxothian-3-yl)-1,3-benzoxazol-2-amine
CID 63923752

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-ylamino)-1-tert-butylpyrrolidin-2-one?
The IUPAC name of 4-(1,3-benzoxazol-2-ylamino)-1-tert-butylpyrrolidin-2-one (CID 133342194) is 4-(1,3-benzoxazol-2-ylamino)-1-tert-butylpyrrolidin-2-one.
What is the SMILES notation for 4-(1,3-benzoxazol-2-ylamino)-1-tert-butylpyrrolidin-2-one?
The canonical SMILES for 4-(1,3-benzoxazol-2-ylamino)-1-tert-butylpyrrolidin-2-one is CC(C)(C)N1CC(Nc2nc3ccccc3o2)CC1=O.
What is the InChIKey of 4-(1,3-benzoxazol-2-ylamino)-1-tert-butylpyrrolidin-2-one?
The InChIKey is VEWVXRRASZZFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,3)18-9-10(8-13(18)19)16-14-17-11-6-4-5-7-12(11)20-14/h4-7,10H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 4-(1,3-benzoxazol-2-ylamino)-1-tert-butylpyrrolidin-2-one?
4-(1,3-benzoxazol-2-ylamino)-1-tert-butylpyrrolidin-2-one has a molecular weight of 273.34 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-ylamino)-1-tert-butylpyrrolidin-2-one is sourced from PubChem (CID 133342194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).