(4S)-4-tert-butyl-2-propyl-4,5-dihydro-1,3-oxazole

C10H19NO — CID 174668146

IUPAC(4S)-4-tert-butyl-2-propyl-4,5-dihydro-1,3-oxazole
SMILESCCCC1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C10H19NO/c1-5-6-9-11-8(7-12-9)10(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyLRVWXMCNMHCSBA-MRVPVSSYSA-N
MW169.27 g/mol
LogP2.63
Rot. Bonds2

About (4S)-4-tert-butyl-2-propyl-4,5-dihydro-1,3-oxazole

(4S)-4-tert-butyl-2-propyl-4,5-dihydro-1,3-oxazole (PubChem CID 174668146) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-propyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-tert-butyl-2-propyl-4,5-dihydro-1,3-oxazole
PubChem CID174668146
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(4S)-4-tert-butyl-2-propyl-4,5-dihydro-1,3-oxazole
SMILESCCCC1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C10H19NO/c1-5-6-9-11-8(7-12-9)10(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyLRVWXMCNMHCSBA-MRVPVSSYSA-N
XLogP2.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
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)-4-tert-butyl-2-propyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-tert-butyl-2-propyl-4,5-dihydro-1,3-oxazole (CID 174668146) is (4S)-4-tert-butyl-2-propyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-tert-butyl-2-propyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-tert-butyl-2-propyl-4,5-dihydro-1,3-oxazole is CCCC1=N[C@@H](C(C)(C)C)CO1.
What is the InChIKey of (4S)-4-tert-butyl-2-propyl-4,5-dihydro-1,3-oxazole?
The InChIKey is LRVWXMCNMHCSBA-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-6-9-11-8(7-12-9)10(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-2-propyl-4,5-dihydro-1,3-oxazole?
(4S)-4-tert-butyl-2-propyl-4,5-dihydro-1,3-oxazole has a molecular weight of 169.27 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)-4-tert-butyl-2-propyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 174668146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).