(4S)-4-propan-2-yl-2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pentan-2-yl]-4,5-dihydro-1,3-oxazole

C17H30N2O2 — CID 57350167

IUPAC(4S)-4-propan-2-yl-2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pentan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCCCC(C)(C1=NC(C(C)C)CO1)C1=N[C@@H](C(C)C)CO1
InChIInChI=1S/C17H30N2O2/c1-7-8-17(6,15-18-13(9-20-15)11(2)3)16-19-14(10-21-16)12(4)5/h11-14H,7-10H2,1-6H3/t13-,14?,17?/m1/s1
InChIKeyZGUBAJRGAJPIRE-TUBUQKNSSA-N
MW294.44 g/mol
LogP3.70
Rot. Bonds6

About (4S)-4-propan-2-yl-2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pentan-2-yl]-4,5-dihydro-1,3-oxazole

(4S)-4-propan-2-yl-2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pentan-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 57350167) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pentan-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pentan-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID57350167
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name(4S)-4-propan-2-yl-2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pentan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCCCC(C)(C1=NC(C(C)C)CO1)C1=N[C@@H](C(C)C)CO1
InChIInChI=1S/C17H30N2O2/c1-7-8-17(6,15-18-13(9-20-15)11(2)3)16-19-14(10-21-16)12(4)5/h11-14H,7-10H2,1-6H3/t13-,14?,17?/m1/s1
InChIKeyZGUBAJRGAJPIRE-TUBUQKNSSA-N
XLogP3.70
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-propan-2-yl-2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pentan-2-yl]-4,5-dihydro-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pentan-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-propan-2-yl-2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pentan-2-yl]-4,5-dihydro-1,3-oxazole (CID 57350167) is (4S)-4-propan-2-yl-2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pentan-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-propan-2-yl-2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pentan-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-propan-2-yl-2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pentan-2-yl]-4,5-dihydro-1,3-oxazole is CCCC(C)(C1=NC(C(C)C)CO1)C1=N[C@@H](C(C)C)CO1.
What is the InChIKey of (4S)-4-propan-2-yl-2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pentan-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is ZGUBAJRGAJPIRE-TUBUQKNSSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-7-8-17(6,15-18-13(9-20-15)11(2)3)16-19-14(10-21-16)12(4)5/h11-14H,7-10H2,1-6H3/t13-,14?,17?/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pentan-2-yl]-4,5-dihydro-1,3-oxazole?
(4S)-4-propan-2-yl-2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pentan-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 294.44 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)pentan-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 57350167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).