(4S)-2,4-dimethyl-4-propyl-5H-1,3-oxazole

C8H15NO — CID 18655975

IUPAC(4S)-2,4-dimethyl-4-propyl-5H-1,3-oxazole
SMILESCCC[C@@]1(C)COC(C)=N1
InChIInChI=1S/C8H15NO/c1-4-5-8(3)6-10-7(2)9-8/h4-6H2,1-3H3/t8-/m0/s1
InChIKeyYGRQOQQTHLYERP-QMMMGPOBSA-N
MW141.21 g/mol
LogP1.99
Rot. Bonds2

About (4S)-2,4-dimethyl-4-propyl-5H-1,3-oxazole

(4S)-2,4-dimethyl-4-propyl-5H-1,3-oxazole (PubChem CID 18655975) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (4S)-2,4-dimethyl-4-propyl-5H-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2,4-dimethyl-4-propyl-5H-1,3-oxazole
PubChem CID18655975
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(4S)-2,4-dimethyl-4-propyl-5H-1,3-oxazole
SMILESCCC[C@@]1(C)COC(C)=N1
InChIInChI=1S/C8H15NO/c1-4-5-8(3)6-10-7(2)9-8/h4-6H2,1-3H3/t8-/m0/s1
InChIKeyYGRQOQQTHLYERP-QMMMGPOBSA-N
XLogP1.99
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,4-dimethyl-4-propyl-5H-1,3-oxazole?
The IUPAC name of (4S)-2,4-dimethyl-4-propyl-5H-1,3-oxazole (CID 18655975) is (4S)-2,4-dimethyl-4-propyl-5H-1,3-oxazole.
What is the SMILES notation for (4S)-2,4-dimethyl-4-propyl-5H-1,3-oxazole?
The canonical SMILES for (4S)-2,4-dimethyl-4-propyl-5H-1,3-oxazole is CCC[C@@]1(C)COC(C)=N1.
What is the InChIKey of (4S)-2,4-dimethyl-4-propyl-5H-1,3-oxazole?
The InChIKey is YGRQOQQTHLYERP-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-8(3)6-10-7(2)9-8/h4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of (4S)-2,4-dimethyl-4-propyl-5H-1,3-oxazole?
(4S)-2,4-dimethyl-4-propyl-5H-1,3-oxazole has a molecular weight of 141.21 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,4-dimethyl-4-propyl-5H-1,3-oxazole is sourced from PubChem (CID 18655975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).