1-[4-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]-3-oxobutyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione

C22H25FN4O5 — CID 134553459

IUPAC1-[4-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]-3-oxobutyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione
SMILESC[C@@H](NCC(=O)CCc1coc(N2CC(=O)NC2=O)n1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C22H25FN4O5/c1-13(15-4-7-18(23)19(8-15)31-11-14-2-3-14)24-9-17(28)6-5-16-12-32-22(25-16)27-10-20(29)26-21(27)30/h4,7-8,12-14,24H,2-3,5-6,9-11H2,1H3,(H,26,29,30)/t13-/m1/s1
InChIKeyVVKZLUUDKHHXEH-CYBMUJFWSA-N
MW444.46 g/mol
LogP2.51
Rot. Bonds11

About 1-[4-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]-3-oxobutyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione

1-[4-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]-3-oxobutyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione (PubChem CID 134553459) has the molecular formula C22H25FN4O5 and a molecular weight of 444.46 g/mol. Its IUPAC name is 1-[4-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]-3-oxobutyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[4-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]-3-oxobutyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione
PubChem CID134553459
Molecular FormulaC22H25FN4O5
Molecular Weight444.46 g/mol
Exact Mass444.18
IUPAC Name1-[4-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]-3-oxobutyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione
SMILESC[C@@H](NCC(=O)CCc1coc(N2CC(=O)NC2=O)n1)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C22H25FN4O5/c1-13(15-4-7-18(23)19(8-15)31-11-14-2-3-14)24-9-17(28)6-5-16-12-32-22(25-16)27-10-20(29)26-21(27)30/h4,7-8,12-14,24H,2-3,5-6,9-11H2,1H3,(H,26,29,30)/t13-/m1/s1
InChIKeyVVKZLUUDKHHXEH-CYBMUJFWSA-N
XLogP2.51
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[4-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]-3-oxobutyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]-3-oxobutyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione?
The IUPAC name of 1-[4-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]-3-oxobutyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione (CID 134553459) is 1-[4-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]-3-oxobutyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[4-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]-3-oxobutyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[4-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]-3-oxobutyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione is C[C@@H](NCC(=O)CCc1coc(N2CC(=O)NC2=O)n1)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 1-[4-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]-3-oxobutyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione?
The InChIKey is VVKZLUUDKHHXEH-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H25FN4O5/c1-13(15-4-7-18(23)19(8-15)31-11-14-2-3-14)24-9-17(28)6-5-16-12-32-22(25-16)27-10-20(29)26-21(27)30/h4,7-8,12-14,24H,2-3,5-6,9-11H2,1H3,(H,26,29,30)/t13-/m1/s1.
What are the key properties of 1-[4-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]-3-oxobutyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione?
1-[4-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]-3-oxobutyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione has a molecular weight of 444.46 g/mol, XLogP of 2.51, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]-3-oxobutyl]-1,3-oxazol-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 134553459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).