2-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-1-[(2S)-pyrrolidin-2-yl]ethanone

C14H22N2O2 — CID 159267261

IUPAC2-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-1-[(2S)-pyrrolidin-2-yl]ethanone
SMILESCC(C)(C)Cc1cc(CC(=O)[C@@H]2CCCN2)on1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)9-10-7-11(18-16-10)8-13(17)12-5-4-6-15-12/h7,12,15H,4-6,8-9H2,1-3H3/t12-/m0/s1
InChIKeyKXGMZLRXFISLQZ-LBPRGKRZSA-N
MW250.34 g/mol
LogP2.13
Rot. Bonds4

About 2-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-1-[(2S)-pyrrolidin-2-yl]ethanone

2-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-1-[(2S)-pyrrolidin-2-yl]ethanone (PubChem CID 159267261) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-1-[(2S)-pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name2-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-1-[(2S)-pyrrolidin-2-yl]ethanone
PubChem CID159267261
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-1-[(2S)-pyrrolidin-2-yl]ethanone
SMILESCC(C)(C)Cc1cc(CC(=O)[C@@H]2CCCN2)on1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)9-10-7-11(18-16-10)8-13(17)12-5-4-6-15-12/h7,12,15H,4-6,8-9H2,1-3H3/t12-/m0/s1
InChIKeyKXGMZLRXFISLQZ-LBPRGKRZSA-N
XLogP2.13
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-tert-butyl-1,2-oxazol-3-yl)-1-[(2S)-piperidin-2-yl]ethanone
CID 58563745
2-(5-tert-butyl-1,2-oxazol-3-yl)-1-piperidin-2-ylethanone;hydrochloride
CID 160809244
2-(5-tert-butyl-2-pyridinyl)-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 158131432
2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone
CID 116547487
2-(4-tert-butyl-1,3-oxazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone
CID 58564094
N-[(3-methyl-1,2-oxazol-5-yl)methyl]azepane-2-carboxamide
CID 64569142
2-(4-tert-butyl-1,3-oxazol-2-yl)-1-[(2S)-piperidin-2-yl]ethanone;hydrochloride
CID 160910625
1-(azepan-2-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062173
1-(azepan-2-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 116582657
methyl 2-(3-piperidin-4-yl-1,2-oxazol-5-yl)acetate
CID 163373999
1-(azepan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116582673
2-(2-amino-4-pyridinyl)-1-pyrrolidin-2-ylethanone
CID 116547431

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-1-[(2S)-pyrrolidin-2-yl]ethanone?
The IUPAC name of 2-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-1-[(2S)-pyrrolidin-2-yl]ethanone (CID 159267261) is 2-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-1-[(2S)-pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 2-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-1-[(2S)-pyrrolidin-2-yl]ethanone?
The canonical SMILES for 2-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-1-[(2S)-pyrrolidin-2-yl]ethanone is CC(C)(C)Cc1cc(CC(=O)[C@@H]2CCCN2)on1.
What is the InChIKey of 2-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-1-[(2S)-pyrrolidin-2-yl]ethanone?
The InChIKey is KXGMZLRXFISLQZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)9-10-7-11(18-16-10)8-13(17)12-5-4-6-15-12/h7,12,15H,4-6,8-9H2,1-3H3/t12-/m0/s1.
What are the key properties of 2-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-1-[(2S)-pyrrolidin-2-yl]ethanone?
2-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-1-[(2S)-pyrrolidin-2-yl]ethanone has a molecular weight of 250.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-1-[(2S)-pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 159267261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).