4-methyl-1-[2-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]prop-2-enyl]-3-prop-2-enoxyimidazolidin-2-one

C16H19N5O3 — CID 139335663

IUPAC4-methyl-1-[2-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]prop-2-enyl]-3-prop-2-enoxyimidazolidin-2-one
SMILESC=CCON1C(=O)N(CC(=C)n2ccc(-c3ncco3)n2)CC1C
InChIInChI=1S/C16H19N5O3/c1-4-8-24-21-13(3)11-19(16(21)22)10-12(2)20-7-5-14(18-20)15-17-6-9-23-15/h4-7,9,13H,1-2,8,10-11H2,3H3
InChIKeyCLUUTZSRLHJTEE-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.25
Rot. Bonds7

About 4-methyl-1-[2-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]prop-2-enyl]-3-prop-2-enoxyimidazolidin-2-one

4-methyl-1-[2-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]prop-2-enyl]-3-prop-2-enoxyimidazolidin-2-one (PubChem CID 139335663) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-methyl-1-[2-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]prop-2-enyl]-3-prop-2-enoxyimidazolidin-2-one.

Molecular Properties

Compound Name4-methyl-1-[2-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]prop-2-enyl]-3-prop-2-enoxyimidazolidin-2-one
PubChem CID139335663
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name4-methyl-1-[2-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]prop-2-enyl]-3-prop-2-enoxyimidazolidin-2-one
SMILESC=CCON1C(=O)N(CC(=C)n2ccc(-c3ncco3)n2)CC1C
InChIInChI=1S/C16H19N5O3/c1-4-8-24-21-13(3)11-19(16(21)22)10-12(2)20-7-5-14(18-20)15-17-6-9-23-15/h4-7,9,13H,1-2,8,10-11H2,3H3
InChIKeyCLUUTZSRLHJTEE-UHFFFAOYSA-N
XLogP2.25
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]prop-2-enyl]-3-prop-2-enoxyimidazolidin-2-one?
The IUPAC name of 4-methyl-1-[2-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]prop-2-enyl]-3-prop-2-enoxyimidazolidin-2-one (CID 139335663) is 4-methyl-1-[2-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]prop-2-enyl]-3-prop-2-enoxyimidazolidin-2-one.
What is the SMILES notation for 4-methyl-1-[2-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]prop-2-enyl]-3-prop-2-enoxyimidazolidin-2-one?
The canonical SMILES for 4-methyl-1-[2-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]prop-2-enyl]-3-prop-2-enoxyimidazolidin-2-one is C=CCON1C(=O)N(CC(=C)n2ccc(-c3ncco3)n2)CC1C.
What is the InChIKey of 4-methyl-1-[2-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]prop-2-enyl]-3-prop-2-enoxyimidazolidin-2-one?
The InChIKey is CLUUTZSRLHJTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-4-8-24-21-13(3)11-19(16(21)22)10-12(2)20-7-5-14(18-20)15-17-6-9-23-15/h4-7,9,13H,1-2,8,10-11H2,3H3.
What are the key properties of 4-methyl-1-[2-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]prop-2-enyl]-3-prop-2-enoxyimidazolidin-2-one?
4-methyl-1-[2-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]prop-2-enyl]-3-prop-2-enoxyimidazolidin-2-one has a molecular weight of 329.36 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-[3-(1,3-oxazol-2-yl)pyrazol-1-yl]prop-2-enyl]-3-prop-2-enoxyimidazolidin-2-one is sourced from PubChem (CID 139335663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).