(4S)-4-propan-2-yl-2-[[3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole

C22H27N3O2 — CID 171156733

IUPAC(4S)-4-propan-2-yl-2-[[3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(C=c2[nH]c(=CC3=N[C@@H](C(C)C)CO3)c3ccccc23)=N1
InChIInChI=1S/C22H27N3O2/c1-13(2)19-11-26-21(24-19)9-17-15-7-5-6-8-16(15)18(23-17)10-22-25-20(12-27-22)14(3)4/h5-10,13-14,19-20,23H,11-12H2,1-4H3/t19-,20-/m1/s1
InChIKeyXVSFUWLKMKBJQK-WOJBJXKFSA-N
MW365.48 g/mol
LogP2.64
Rot. Bonds4

About (4S)-4-propan-2-yl-2-[[3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole

(4S)-4-propan-2-yl-2-[[3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 171156733) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-2-[[3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-2-[[3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID171156733
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(4S)-4-propan-2-yl-2-[[3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(C=c2[nH]c(=CC3=N[C@@H](C(C)C)CO3)c3ccccc23)=N1
InChIInChI=1S/C22H27N3O2/c1-13(2)19-11-26-21(24-19)9-17-15-7-5-6-8-16(15)18(23-17)10-22-25-20(12-27-22)14(3)4/h5-10,13-14,19-20,23H,11-12H2,1-4H3/t19-,20-/m1/s1
InChIKeyXVSFUWLKMKBJQK-WOJBJXKFSA-N
XLogP2.64
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-4-propan-2-yl-2-[[3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-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-[[3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-propan-2-yl-2-[[3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole (CID 171156733) is (4S)-4-propan-2-yl-2-[[3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-propan-2-yl-2-[[3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-propan-2-yl-2-[[3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC(C=c2[nH]c(=CC3=N[C@@H](C(C)C)CO3)c3ccccc23)=N1.
What is the InChIKey of (4S)-4-propan-2-yl-2-[[3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is XVSFUWLKMKBJQK-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-13(2)19-11-26-21(24-19)9-17-15-7-5-6-8-16(15)18(23-17)10-22-25-20(12-27-22)14(3)4/h5-10,13-14,19-20,23H,11-12H2,1-4H3/t19-,20-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-2-[[3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-propan-2-yl-2-[[3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 365.48 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-2-[[3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 171156733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).