5-(cyclohexa-1,5-dien-1-ylmethyl)-2-cyclopropylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-methylimidazolidin-4-one

C23H27N5O2 — CID 71029749

IUPAC5-(cyclohexa-1,5-dien-1-ylmethyl)-2-cyclopropylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-methylimidazolidin-4-one
SMILESCc1noc(C)c1Cn1cc(N2C(=O)C(CC3=CCCC=C3)N(C)C2=C2CC2)cn1
InChIInChI=1S/C23H27N5O2/c1-15-20(16(2)30-25-15)14-27-13-19(12-24-27)28-22(18-9-10-18)26(3)21(23(28)29)11-17-7-5-4-6-8-17/h5,7-8,12-13,21H,4,6,9-11,14H2,1-3H3
InChIKeyPISPXKQJIJJVJY-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.86
Rot. Bonds5

About 5-(cyclohexa-1,5-dien-1-ylmethyl)-2-cyclopropylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-methylimidazolidin-4-one

5-(cyclohexa-1,5-dien-1-ylmethyl)-2-cyclopropylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-methylimidazolidin-4-one (PubChem CID 71029749) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 5-(cyclohexa-1,5-dien-1-ylmethyl)-2-cyclopropylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-methylimidazolidin-4-one.

Molecular Properties

Compound Name5-(cyclohexa-1,5-dien-1-ylmethyl)-2-cyclopropylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-methylimidazolidin-4-one
PubChem CID71029749
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name5-(cyclohexa-1,5-dien-1-ylmethyl)-2-cyclopropylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-methylimidazolidin-4-one
SMILESCc1noc(C)c1Cn1cc(N2C(=O)C(CC3=CCCC=C3)N(C)C2=C2CC2)cn1
InChIInChI=1S/C23H27N5O2/c1-15-20(16(2)30-25-15)14-27-13-19(12-24-27)28-22(18-9-10-18)26(3)21(23(28)29)11-17-7-5-4-6-8-17/h5,7-8,12-13,21H,4,6,9-11,14H2,1-3H3
InChIKeyPISPXKQJIJJVJY-UHFFFAOYSA-N
XLogP3.86
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexa-1,5-dien-1-ylmethyl)-2-cyclopropylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-methylimidazolidin-4-one?
The IUPAC name of 5-(cyclohexa-1,5-dien-1-ylmethyl)-2-cyclopropylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-methylimidazolidin-4-one (CID 71029749) is 5-(cyclohexa-1,5-dien-1-ylmethyl)-2-cyclopropylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-methylimidazolidin-4-one.
What is the SMILES notation for 5-(cyclohexa-1,5-dien-1-ylmethyl)-2-cyclopropylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-methylimidazolidin-4-one?
The canonical SMILES for 5-(cyclohexa-1,5-dien-1-ylmethyl)-2-cyclopropylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-methylimidazolidin-4-one is Cc1noc(C)c1Cn1cc(N2C(=O)C(CC3=CCCC=C3)N(C)C2=C2CC2)cn1.
What is the InChIKey of 5-(cyclohexa-1,5-dien-1-ylmethyl)-2-cyclopropylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-methylimidazolidin-4-one?
The InChIKey is PISPXKQJIJJVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-15-20(16(2)30-25-15)14-27-13-19(12-24-27)28-22(18-9-10-18)26(3)21(23(28)29)11-17-7-5-4-6-8-17/h5,7-8,12-13,21H,4,6,9-11,14H2,1-3H3.
What are the key properties of 5-(cyclohexa-1,5-dien-1-ylmethyl)-2-cyclopropylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-methylimidazolidin-4-one?
5-(cyclohexa-1,5-dien-1-ylmethyl)-2-cyclopropylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-methylimidazolidin-4-one has a molecular weight of 405.50 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexa-1,5-dien-1-ylmethyl)-2-cyclopropylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-methylimidazolidin-4-one is sourced from PubChem (CID 71029749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).