(3-tert-butyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone

C15H24N2O2 — CID 167416054

IUPAC(3-tert-butyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone
SMILESCC(C)(C)C1=NOC2(C(=O)N3CCCC3)CCCC12
InChIInChI=1S/C15H24N2O2/c1-14(2,3)12-11-7-6-8-15(11,19-16-12)13(18)17-9-4-5-10-17/h11H,4-10H2,1-3H3
InChIKeyOQKBLAWKOIPDJC-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.58
Rot. Bonds1

About (3-tert-butyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone

(3-tert-butyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone (PubChem CID 167416054) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (3-tert-butyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-tert-butyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone
PubChem CID167416054
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name(3-tert-butyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone
SMILESCC(C)(C)C1=NOC2(C(=O)N3CCCC3)CCCC12
InChIInChI=1S/C15H24N2O2/c1-14(2,3)12-11-7-6-8-15(11,19-16-12)13(18)17-9-4-5-10-17/h11H,4-10H2,1-3H3
InChIKeyOQKBLAWKOIPDJC-UHFFFAOYSA-N
XLogP2.58
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-tert-butyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone (CID 167416054) is (3-tert-butyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-tert-butyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-tert-butyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone is CC(C)(C)C1=NOC2(C(=O)N3CCCC3)CCCC12.
What is the InChIKey of (3-tert-butyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is OQKBLAWKOIPDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-14(2,3)12-11-7-6-8-15(11,19-16-12)13(18)17-9-4-5-10-17/h11H,4-10H2,1-3H3.
What are the key properties of (3-tert-butyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone?
(3-tert-butyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 264.37 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 167416054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).