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

C24H31N3O2 — CID 134845590

IUPAC(4S)-4-tert-butyl-2-[(Z)-[(3Z)-3-[[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@H]1COC(/C=c2\[nH]/c(=C\C3=N[C@@H](C(C)(C)C)CO3)c3ccccc23)=N1
InChIInChI=1S/C24H31N3O2/c1-23(2,3)19-13-28-21(26-19)11-17-15-9-7-8-10-16(15)18(25-17)12-22-27-20(14-29-22)24(4,5)6/h7-12,19-20,25H,13-14H2,1-6H3/b17-11-,18-12-/t19-,20-/m1/s1
InChIKeyQHQFGNKQMFAUOF-NBAHAUEVSA-N
MW393.53 g/mol
LogP3.42
Rot. Bonds2

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

(4S)-4-tert-butyl-2-[(Z)-[(3Z)-3-[[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 134845590) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-[(Z)-[(3Z)-3-[[(4S)-4-tert-butyl-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-tert-butyl-2-[(Z)-[(3Z)-3-[[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID134845590
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name(4S)-4-tert-butyl-2-[(Z)-[(3Z)-3-[[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@H]1COC(/C=c2\[nH]/c(=C\C3=N[C@@H](C(C)(C)C)CO3)c3ccccc23)=N1
InChIInChI=1S/C24H31N3O2/c1-23(2,3)19-13-28-21(26-19)11-17-15-9-7-8-10-16(15)18(25-17)12-22-27-20(14-29-22)24(4,5)6/h7-12,19-20,25H,13-14H2,1-6H3/b17-11-,18-12-/t19-,20-/m1/s1
InChIKeyQHQFGNKQMFAUOF-NBAHAUEVSA-N
XLogP3.42
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-4-tert-butyl-2-[(Z)-[(3Z)-3-[[(4S)-4-tert-butyl-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-tert-butyl-2-[(Z)-[(3Z)-3-[[(4S)-4-tert-butyl-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-tert-butyl-2-[(Z)-[(3Z)-3-[[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole (CID 134845590) is (4S)-4-tert-butyl-2-[(Z)-[(3Z)-3-[[(4S)-4-tert-butyl-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-tert-butyl-2-[(Z)-[(3Z)-3-[[(4S)-4-tert-butyl-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-tert-butyl-2-[(Z)-[(3Z)-3-[[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole is CC(C)(C)[C@H]1COC(/C=c2\[nH]/c(=C\C3=N[C@@H](C(C)(C)C)CO3)c3ccccc23)=N1.
What is the InChIKey of (4S)-4-tert-butyl-2-[(Z)-[(3Z)-3-[[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is QHQFGNKQMFAUOF-NBAHAUEVSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-23(2,3)19-13-28-21(26-19)11-17-15-9-7-8-10-16(15)18(25-17)12-22-27-20(14-29-22)24(4,5)6/h7-12,19-20,25H,13-14H2,1-6H3/b17-11-,18-12-/t19-,20-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-2-[(Z)-[(3Z)-3-[[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-tert-butyl-2-[(Z)-[(3Z)-3-[[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 393.53 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-2-[(Z)-[(3Z)-3-[[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 134845590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).