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

C19H34N2O2 — CID 101353528

IUPAC(4S)-2-[2-[(4S)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole
SMILESCC(C)[C@@H]1N=C(C(C)(C)C2=N[C@@H](C(C)C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C19H34N2O2/c1-11(2)13-18(7,8)22-15(20-13)17(5,6)16-21-14(12(3)4)19(9,10)23-16/h11-14H,1-10H3/t13-,14-/m0/s1
InChIKeyWYNZDYCAFMFAIN-KBPBESRZSA-N
MW322.49 g/mol
LogP4.48
Rot. Bonds4

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

(4S)-2-[2-[(4S)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole (PubChem CID 101353528) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is (4S)-2-[2-[(4S)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[2-[(4S)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole
PubChem CID101353528
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name(4S)-2-[2-[(4S)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole
SMILESCC(C)[C@@H]1N=C(C(C)(C)C2=N[C@@H](C(C)C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C19H34N2O2/c1-11(2)13-18(7,8)22-15(20-13)17(5,6)16-21-14(12(3)4)19(9,10)23-16/h11-14H,1-10H3/t13-,14-/m0/s1
InChIKeyWYNZDYCAFMFAIN-KBPBESRZSA-N
XLogP4.48
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

(4S,4'S)-2,2'-(Propane-2,2-diyl)bis(4-isobutyl-4,5-dihydrooxazole)
CID 10891732
(4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-5,5-dimethyl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4H-1,3-oxazole
CID 15183770
(4R)-2-[[(4R)-5,5-dimethyl-4-(2-methylpropyl)-4H-1,3-oxazol-2-yl]methyl]-5,5-dimethyl-4-(2-methylpropyl)-4H-1,3-oxazole
CID 18345489
(4R)-2-[[(4R)-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4-propan-2-yl-4H-1,3-oxazole
CID 18345499
(4R)-4,5,5-tri(propan-2-yl)-2-[[(4R)-4,5,5-tri(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-4H-1,3-oxazole
CID 18345500
(4R)-2-[[(4R)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole
CID 18345501
(4R)-4-methyl-2-[[(4R)-4-methyl-5,5-di(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-5,5-di(propan-2-yl)-4H-1,3-oxazole
CID 18345512
(4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-diethyl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4H-1,3-oxazole
CID 18345538
(4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-di(propan-2-yl)-4H-1,3-oxazol-2-yl]methyl]-5,5-di(propan-2-yl)-4H-1,3-oxazole
CID 18345539
(4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-dimethyl-4H-1,3-oxazol-2-yl]methyl]-5,5-dimethyl-4H-1,3-oxazole
CID 18345540
(4R)-2-[[(4R)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole;nickel(2+);dibromide
CID 21131587
(4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-dimethyl-4H-1,3-oxazol-2-yl]methyl]-5,5-dimethyl-4H-1,3-oxazole;nickel(2+);dibromide
CID 21131621

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[2-[(4S)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole?
The IUPAC name of (4S)-2-[2-[(4S)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole (CID 101353528) is (4S)-2-[2-[(4S)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole.
What is the SMILES notation for (4S)-2-[2-[(4S)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole?
The canonical SMILES for (4S)-2-[2-[(4S)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole is CC(C)[C@@H]1N=C(C(C)(C)C2=N[C@@H](C(C)C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of (4S)-2-[2-[(4S)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole?
The InChIKey is WYNZDYCAFMFAIN-KBPBESRZSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-11(2)13-18(7,8)22-15(20-13)17(5,6)16-21-14(12(3)4)19(9,10)23-16/h11-14H,1-10H3/t13-,14-/m0/s1.
What are the key properties of (4S)-2-[2-[(4S)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole?
(4S)-2-[2-[(4S)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole has a molecular weight of 322.49 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[2-[(4S)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]propan-2-yl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole is sourced from PubChem (CID 101353528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).