(4S)-2-cyclopentyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C11H19NO — CID 22489664

IUPAC(4S)-2-cyclopentyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(C2CCCC2)=N1
InChIInChI=1S/C11H19NO/c1-8(2)10-7-13-11(12-10)9-5-3-4-6-9/h8-10H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyFUJWQZVTGMFFSD-SNVBAGLBSA-N
MW181.28 g/mol
LogP2.63
Rot. Bonds2

About (4S)-2-cyclopentyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole

(4S)-2-cyclopentyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 22489664) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (4S)-2-cyclopentyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-cyclopentyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID22489664
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(4S)-2-cyclopentyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(C2CCCC2)=N1
InChIInChI=1S/C11H19NO/c1-8(2)10-7-13-11(12-10)9-5-3-4-6-9/h8-10H,3-7H2,1-2H3/t10-/m1/s1
InChIKeyFUJWQZVTGMFFSD-SNVBAGLBSA-N
XLogP2.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-cyclopentyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-cyclopentyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 22489664) is (4S)-2-cyclopentyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-cyclopentyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-cyclopentyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC(C2CCCC2)=N1.
What is the InChIKey of (4S)-2-cyclopentyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is FUJWQZVTGMFFSD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)10-7-13-11(12-10)9-5-3-4-6-9/h8-10H,3-7H2,1-2H3/t10-/m1/s1.
What are the key properties of (4S)-2-cyclopentyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-cyclopentyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 181.28 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-cyclopentyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 22489664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).