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

C18H27N3O2 — CID 139127047

IUPAC(4S)-4-propan-2-yl-2-[(Z)-[(5Z)-5-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]pyrrolidin-2-ylidene]methyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(/C=C2/CC/C(=C/C3=N[C@@H](C(C)C)CO3)N2)=N1
InChIInChI=1S/C18H27N3O2/c1-11(2)15-9-22-17(20-15)7-13-5-6-14(19-13)8-18-21-16(10-23-18)12(3)4/h7-8,11-12,15-16,19H,5-6,9-10H2,1-4H3/b13-7-,14-8-/t15-,16-/m1/s1
InChIKeyWVJFHSXUKBOLFR-HOSXVBLNSA-N
MW317.43 g/mol
LogP3.04
Rot. Bonds4

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

(4S)-4-propan-2-yl-2-[(Z)-[(5Z)-5-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]pyrrolidin-2-ylidene]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 139127047) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-2-[(Z)-[(5Z)-5-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]pyrrolidin-2-ylidene]methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-2-[(Z)-[(5Z)-5-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]pyrrolidin-2-ylidene]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID139127047
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(4S)-4-propan-2-yl-2-[(Z)-[(5Z)-5-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]pyrrolidin-2-ylidene]methyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(/C=C2/CC/C(=C/C3=N[C@@H](C(C)C)CO3)N2)=N1
InChIInChI=1S/C18H27N3O2/c1-11(2)15-9-22-17(20-15)7-13-5-6-14(19-13)8-18-21-16(10-23-18)12(3)4/h7-8,11-12,15-16,19H,5-6,9-10H2,1-4H3/b13-7-,14-8-/t15-,16-/m1/s1
InChIKeyWVJFHSXUKBOLFR-HOSXVBLNSA-N
XLogP3.04
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-4-propan-2-yl-2-[(Z)-[(5Z)-5-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]pyrrolidin-2-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-[(Z)-[(5Z)-5-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]pyrrolidin-2-ylidene]methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-propan-2-yl-2-[(Z)-[(5Z)-5-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]pyrrolidin-2-ylidene]methyl]-4,5-dihydro-1,3-oxazole (CID 139127047) is (4S)-4-propan-2-yl-2-[(Z)-[(5Z)-5-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]pyrrolidin-2-ylidene]methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-propan-2-yl-2-[(Z)-[(5Z)-5-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]pyrrolidin-2-ylidene]methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-propan-2-yl-2-[(Z)-[(5Z)-5-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]pyrrolidin-2-ylidene]methyl]-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC(/C=C2/CC/C(=C/C3=N[C@@H](C(C)C)CO3)N2)=N1.
What is the InChIKey of (4S)-4-propan-2-yl-2-[(Z)-[(5Z)-5-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]pyrrolidin-2-ylidene]methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is WVJFHSXUKBOLFR-HOSXVBLNSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-11(2)15-9-22-17(20-15)7-13-5-6-14(19-13)8-18-21-16(10-23-18)12(3)4/h7-8,11-12,15-16,19H,5-6,9-10H2,1-4H3/b13-7-,14-8-/t15-,16-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-2-[(Z)-[(5Z)-5-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]pyrrolidin-2-ylidene]methyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-propan-2-yl-2-[(Z)-[(5Z)-5-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]pyrrolidin-2-ylidene]methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 317.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-2-[(Z)-[(5Z)-5-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]pyrrolidin-2-ylidene]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 139127047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).