(4S)-2-[(Z)-[(3Z)-5,6-dimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C24H31N3O2 — CID 56950125

IUPAC(4S)-2-[(Z)-[(3Z)-5,6-dimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCc1cc2/c(=C/C3=N[C@@H](C(C)C)CO3)[nH]/c(=C\C3=N[C@@H](C(C)C)CO3)c2cc1C
InChIInChI=1S/C24H31N3O2/c1-13(2)21-11-28-23(26-21)9-19-17-7-15(5)16(6)8-18(17)20(25-19)10-24-27-22(12-29-24)14(3)4/h7-10,13-14,21-22,25H,11-12H2,1-6H3/b19-9-,20-10-/t21-,22-/m1/s1
InChIKeyYZRSRZXLFOXLOS-DOXFUBMESA-N
MW393.53 g/mol
LogP3.25
Rot. Bonds4

About (4S)-2-[(Z)-[(3Z)-5,6-dimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

(4S)-2-[(Z)-[(3Z)-5,6-dimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 56950125) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is (4S)-2-[(Z)-[(3Z)-5,6-dimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[(Z)-[(3Z)-5,6-dimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID56950125
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name(4S)-2-[(Z)-[(3Z)-5,6-dimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCc1cc2/c(=C/C3=N[C@@H](C(C)C)CO3)[nH]/c(=C\C3=N[C@@H](C(C)C)CO3)c2cc1C
InChIInChI=1S/C24H31N3O2/c1-13(2)21-11-28-23(26-21)9-19-17-7-15(5)16(6)8-18(17)20(25-19)10-24-27-22(12-29-24)14(3)4/h7-10,13-14,21-22,25H,11-12H2,1-6H3/b19-9-,20-10-/t21-,22-/m1/s1
InChIKeyYZRSRZXLFOXLOS-DOXFUBMESA-N
XLogP3.25
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-2-[(Z)-[(3Z)-5,6-dimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-[(Z)-[(3Z)-5,6-dimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[(Z)-[(3Z)-5,6-dimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 56950125) is (4S)-2-[(Z)-[(3Z)-5,6-dimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[(Z)-[(3Z)-5,6-dimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[(Z)-[(3Z)-5,6-dimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is Cc1cc2/c(=C/C3=N[C@@H](C(C)C)CO3)[nH]/c(=C\C3=N[C@@H](C(C)C)CO3)c2cc1C.
What is the InChIKey of (4S)-2-[(Z)-[(3Z)-5,6-dimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is YZRSRZXLFOXLOS-DOXFUBMESA-N. The full InChI is InChI=1S/C24H31N3O2/c1-13(2)21-11-28-23(26-21)9-19-17-7-15(5)16(6)8-18(17)20(25-19)10-24-27-22(12-29-24)14(3)4/h7-10,13-14,21-22,25H,11-12H2,1-6H3/b19-9-,20-10-/t21-,22-/m1/s1.
What are the key properties of (4S)-2-[(Z)-[(3Z)-5,6-dimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-2-[(Z)-[(3Z)-5,6-dimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 393.53 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[(Z)-[(3Z)-5,6-dimethyl-3-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 56950125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).