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

C19H32N2O2 — CID 172635747

IUPAC(4S)-4-butan-2-yl-2-[1-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole
SMILESCCC(C)[C@H]1COC(C2(C3=N[C@@H](C(C)CC)CO3)CCCC2)=N1
InChIInChI=1S/C19H32N2O2/c1-5-13(3)15-11-22-17(20-15)19(9-7-8-10-19)18-21-16(12-23-18)14(4)6-2/h13-16H,5-12H2,1-4H3/t13?,14?,15-,16-/m1/s1
InChIKeyUOWXKXWKKXXJDF-QDIHITRGSA-N
MW320.48 g/mol
LogP4.23
Rot. Bonds6

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

(4S)-4-butan-2-yl-2-[1-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole (PubChem CID 172635747) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is (4S)-4-butan-2-yl-2-[1-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-butan-2-yl-2-[1-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole
PubChem CID172635747
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name(4S)-4-butan-2-yl-2-[1-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole
SMILESCCC(C)[C@H]1COC(C2(C3=N[C@@H](C(C)CC)CO3)CCCC2)=N1
InChIInChI=1S/C19H32N2O2/c1-5-13(3)15-11-22-17(20-15)19(9-7-8-10-19)18-21-16(12-23-18)14(4)6-2/h13-16H,5-12H2,1-4H3/t13?,14?,15-,16-/m1/s1
InChIKeyUOWXKXWKKXXJDF-QDIHITRGSA-N
XLogP4.23
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-butan-2-yl-2-[1-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-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
CID 135083398
CID 135083398
(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
(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
(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
CID 134874889
CID 134874889
CID 134879893
CID 134879893

Frequently Asked Questions

What is the IUPAC name of (4S)-4-butan-2-yl-2-[1-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-butan-2-yl-2-[1-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole (CID 172635747) is (4S)-4-butan-2-yl-2-[1-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-butan-2-yl-2-[1-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-butan-2-yl-2-[1-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole is CCC(C)[C@H]1COC(C2(C3=N[C@@H](C(C)CC)CO3)CCCC2)=N1.
What is the InChIKey of (4S)-4-butan-2-yl-2-[1-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is UOWXKXWKKXXJDF-QDIHITRGSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-5-13(3)15-11-22-17(20-15)19(9-7-8-10-19)18-21-16(12-23-18)14(4)6-2/h13-16H,5-12H2,1-4H3/t13?,14?,15-,16-/m1/s1.
What are the key properties of (4S)-4-butan-2-yl-2-[1-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-butan-2-yl-2-[1-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 320.48 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-butan-2-yl-2-[1-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopentyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 172635747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).