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

C17H30N2O2 — CID 134864751

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

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

(4S)-2-[1-ethyl-1-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 134864751) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (4S)-2-[1-ethyl-1-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[1-ethyl-1-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID134864751
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name(4S)-2-[1-ethyl-1-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCCC(CC)(C1=NC(C(C)C)CO1)C1=N[C@@H](C(C)C)CO1
InChIInChI=1S/C17H30N2O2/c1-7-17(8-2,15-18-13(9-20-15)11(3)4)16-19-14(10-21-16)12(5)6/h11-14H,7-10H2,1-6H3/t13-,14?/m1/s1
InChIKeyPIJFQTUSLZLNOP-KWCCSABGSA-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)-2-[1-ethyl-1-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole with MolForge

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Launch Full Analysis

Related Compounds

t-Bu-box, (S,S)-
CID 688208
2,2'-Methylenebis[(4S)-4-tert-butyl-2-oxazoline]
CID 688207
t-Bu-box, (R,R)-
CID 688210
4-Tert-butyl-2-[1-(4-tert-butyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole
CID 495276
Bis((S)-4-(tert-butyl)-4,5-dihydrooxazol-2-yl)methane
CID 688205
(4S,4'S)-(-)-2,2'-(3-Pentylidene)bis(4-isopropyloxazoline)
CID 10880944
2,2-Bis((4S)-(-)-4-isopropyloxazoline)propane
CID 11821563
Bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)methane
CID 10955621
1,2,2-Tris((S)-4-isopropyl-4,5-dihydro-2-oxazolyl)propane
CID 11485737
4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 372806
4-Isopropyl-2-[1-(4-isopropyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole
CID 495275
4-Tert-butyl-2-[(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole
CID 3479933

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[1-ethyl-1-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[1-ethyl-1-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 134864751) is (4S)-2-[1-ethyl-1-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[1-ethyl-1-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[1-ethyl-1-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CCC(CC)(C1=NC(C(C)C)CO1)C1=N[C@@H](C(C)C)CO1.
What is the InChIKey of (4S)-2-[1-ethyl-1-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is PIJFQTUSLZLNOP-KWCCSABGSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-7-17(8-2,15-18-13(9-20-15)11(3)4)16-19-14(10-21-16)12(5)6/h11-14H,7-10H2,1-6H3/t13-,14?/m1/s1.
What are the key properties of (4S)-2-[1-ethyl-1-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-[1-ethyl-1-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propyl]-4-propan-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)-2-[1-ethyl-1-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 134864751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).