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

C21H38N2O2 — CID 134991944

IUPAC(4S)-2-[3,5-dimethyl-4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]heptan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCCC(C)C(C1=N[C@@H](C(C)C)CO1)(C1=N[C@@H](C(C)C)CO1)C(C)CC
InChIInChI=1S/C21H38N2O2/c1-9-15(7)21(16(8)10-2,19-22-17(11-24-19)13(3)4)20-23-18(12-25-20)14(5)6/h13-18H,9-12H2,1-8H3/t15?,16?,17-,18-/m1/s1
InChIKeyFFNBEUKTTROBNC-OPQOLIRYSA-N
MW350.55 g/mol
LogP4.97
Rot. Bonds8

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

(4S)-2-[3,5-dimethyl-4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]heptan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 134991944) has the molecular formula C21H38N2O2 and a molecular weight of 350.55 g/mol. Its IUPAC name is (4S)-2-[3,5-dimethyl-4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]heptan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[3,5-dimethyl-4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]heptan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID134991944
Molecular FormulaC21H38N2O2
Molecular Weight350.55 g/mol
Exact Mass350.29
IUPAC Name(4S)-2-[3,5-dimethyl-4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]heptan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCCC(C)C(C1=N[C@@H](C(C)C)CO1)(C1=N[C@@H](C(C)C)CO1)C(C)CC
InChIInChI=1S/C21H38N2O2/c1-9-15(7)21(16(8)10-2,19-22-17(11-24-19)13(3)4)20-23-18(12-25-20)14(5)6/h13-18H,9-12H2,1-8H3/t15?,16?,17-,18-/m1/s1
InChIKeyFFNBEUKTTROBNC-OPQOLIRYSA-N
XLogP4.97
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(4S,4'S)-(-)-2,2'-(3-Pentylidene)bis(4-isopropyloxazoline)
CID 10880944
(4S,4'S)-2,2'-Cyclopentylidenebis[4-tert-butyl-4,5-dihydrooxazole]
CID 10639448
(4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-isobutyl-4,5-dihydrooxazole)
CID 10891732
(4S,4'S)-2,2'-(Pentane-3,3-diyl)bis(4-(tert-butyl)-4,5-dihydrooxazole)
CID 11759085
2-[5-(4,5-Dihydro-1,3-oxazol-2-yl)nonan-5-yl]-4,5-dihydro-1,3-oxazole
CID 24998753
(4S)-2-[2,6-dimethyl-4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]heptan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 10641628
(4S,4'S)-2,2'-(Cyclobutane-1,1-diyl)bis(4-(tert-butyl)-4,5-dihydrooxazole)
CID 10686123
(4S,4'S)-2,2'-(Cyclohexane-1,1-diyl)bis(4-(tert-butyl)-4,5-dihydrooxazole)
CID 10782968
(4R)-4-[(2S)-butan-2-yl]-2-[2-[(4R)-4-[(2S)-butan-2-yl]-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 23636434
(4S,4'S)-2,2'-(Cyclopentane-1,1-diyl)bis(4-isopropyl-4,5-dihydrooxazole)
CID 60149608
(4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]heptan-2-yl]-4,5-dihydro-1,3-oxazole
CID 134839865
(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

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[3,5-dimethyl-4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]heptan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[3,5-dimethyl-4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]heptan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 134991944) is (4S)-2-[3,5-dimethyl-4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]heptan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[3,5-dimethyl-4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]heptan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[3,5-dimethyl-4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]heptan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CCC(C)C(C1=N[C@@H](C(C)C)CO1)(C1=N[C@@H](C(C)C)CO1)C(C)CC.
What is the InChIKey of (4S)-2-[3,5-dimethyl-4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]heptan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is FFNBEUKTTROBNC-OPQOLIRYSA-N. The full InChI is InChI=1S/C21H38N2O2/c1-9-15(7)21(16(8)10-2,19-22-17(11-24-19)13(3)4)20-23-18(12-25-20)14(5)6/h13-18H,9-12H2,1-8H3/t15?,16?,17-,18-/m1/s1.
What are the key properties of (4S)-2-[3,5-dimethyl-4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]heptan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-[3,5-dimethyl-4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]heptan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 350.55 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[3,5-dimethyl-4-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]heptan-4-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 134991944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).