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

C15H21NO — CID 54215108

IUPAC(4S)-4-propan-2-yl-2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCc1ccc(C2=N[C@@H](C(C)C)CO2)cc1
InChIInChI=1S/C15H21NO/c1-4-5-12-6-8-13(9-7-12)15-16-14(10-17-15)11(2)3/h6-9,11,14H,4-5,10H2,1-3H3/t14-/m1/s1
InChIKeyPYPVOEXFWPYTRE-CQSZACIVSA-N
MW231.34 g/mol
LogP3.44
Rot. Bonds4

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

(4S)-4-propan-2-yl-2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 54215108) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID54215108
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(4S)-4-propan-2-yl-2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCc1ccc(C2=N[C@@H](C(C)C)CO2)cc1
InChIInChI=1S/C15H21NO/c1-4-5-12-6-8-13(9-7-12)15-16-14(10-17-15)11(2)3/h6-9,11,14H,4-5,10H2,1-3H3/t14-/m1/s1
InChIKeyPYPVOEXFWPYTRE-CQSZACIVSA-N
XLogP3.44
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-propan-2-yl-2-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole
CID 127262930
4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde
CID 54342974
(4R)-4-propan-2-yl-2-[6-[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyridazin-3-yl]-4,5-dihydro-1,3-oxazole
CID 132550078
[2,6-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylstannane
CID 127262986
2-[4-phenyl-2-[5-phenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 155898661
(4S)-2-[3-[2-isocyano-3-[3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]phenyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 102374903
CID 10905633
CID 10905633
3-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]propanal
CID 117309392
(4S)-2-[3-phenyl-1-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 102579629
neodymium(3+);(4S)-4-propan-2-yl-2-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole;trichloride
CID 173243081
(4S)-4-propan-2-yl-2-[2-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,3-oxazole
CID 101496732
(4S)-4-propan-2-yl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
CID 10987065

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-propan-2-yl-2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole (CID 54215108) is (4S)-4-propan-2-yl-2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-propan-2-yl-2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-propan-2-yl-2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole is CCCc1ccc(C2=N[C@@H](C(C)C)CO2)cc1.
What is the InChIKey of (4S)-4-propan-2-yl-2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is PYPVOEXFWPYTRE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-5-12-6-8-13(9-7-12)15-16-14(10-17-15)11(2)3/h6-9,11,14H,4-5,10H2,1-3H3/t14-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole?
(4S)-4-propan-2-yl-2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 231.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-2-(4-propylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 54215108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).