[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-(4-cyclopropylsulfonylpiperazin-1-yl)methanone

C22H25F2N3O6S — CID 141428306

IUPAC[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-(4-cyclopropylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1coc(-c2ccc(OC(F)F)c(OCC3CC3)c2)n1)N1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C22H25F2N3O6S/c23-22(24)33-18-6-3-15(11-19(18)31-12-14-1-2-14)20-25-17(13-32-20)21(28)26-7-9-27(10-8-26)34(29,30)16-4-5-16/h3,6,11,13-14,16,22H,1-2,4-5,7-10,12H2
InChIKeySAQYPYFZKSFTQR-UHFFFAOYSA-N
MW497.52 g/mol
LogP2.98
Rot. Bonds9

About [2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-(4-cyclopropylsulfonylpiperazin-1-yl)methanone

[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-(4-cyclopropylsulfonylpiperazin-1-yl)methanone (PubChem CID 141428306) has the molecular formula C22H25F2N3O6S and a molecular weight of 497.52 g/mol. Its IUPAC name is [2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-(4-cyclopropylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-(4-cyclopropylsulfonylpiperazin-1-yl)methanone
PubChem CID141428306
Molecular FormulaC22H25F2N3O6S
Molecular Weight497.52 g/mol
Exact Mass497.14
IUPAC Name[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-(4-cyclopropylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1coc(-c2ccc(OC(F)F)c(OCC3CC3)c2)n1)N1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C22H25F2N3O6S/c23-22(24)33-18-6-3-15(11-19(18)31-12-14-1-2-14)20-25-17(13-32-20)21(28)26-7-9-27(10-8-26)34(29,30)16-4-5-16/h3,6,11,13-14,16,22H,1-2,4-5,7-10,12H2
InChIKeySAQYPYFZKSFTQR-UHFFFAOYSA-N
XLogP2.98
TPSA102.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.52
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-(4-cyclopropylsulfonylpiperazin-1-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methanamine;hydrochloride
CID 175913687
[5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-(4-cyclopropylsulfanylpiperazin-1-yl)methanone
CID 145026508
[5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-[4-[(dimethylamino)methyl]piperazin-1-yl]methanone
CID 145026483
3-[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-1-[2-(2-hydroxyethoxy)phenyl]propan-1-one
CID 159743912
[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl 5-carbamoylpyridine-2-carboxylate
CID 175553188
[5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 145026580
[4-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-2-carbamoylpiperazin-1-yl] acetate;hydrochloride
CID 174909476
methyl 1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]piperidine-4-carboxylate
CID 118934864
4-[5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]piperazine-2,6-dione
CID 145026638
1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-N-cyclopropylpiperidine-4-carboxamide
CID 118934942
4-[5-(aminomethyl)-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]piperazin-2-one;ethane
CID 145026428
2-[3-(cyclobutylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole
CID 141172015

Frequently Asked Questions

What is the IUPAC name of [2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-(4-cyclopropylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of [2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-(4-cyclopropylsulfonylpiperazin-1-yl)methanone (CID 141428306) is [2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-(4-cyclopropylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-(4-cyclopropylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-(4-cyclopropylsulfonylpiperazin-1-yl)methanone is O=C(c1coc(-c2ccc(OC(F)F)c(OCC3CC3)c2)n1)N1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of [2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-(4-cyclopropylsulfonylpiperazin-1-yl)methanone?
The InChIKey is SAQYPYFZKSFTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O6S/c23-22(24)33-18-6-3-15(11-19(18)31-12-14-1-2-14)20-25-17(13-32-20)21(28)26-7-9-27(10-8-26)34(29,30)16-4-5-16/h3,6,11,13-14,16,22H,1-2,4-5,7-10,12H2.
What are the key properties of [2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-(4-cyclopropylsulfonylpiperazin-1-yl)methanone?
[2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-(4-cyclopropylsulfonylpiperazin-1-yl)methanone has a molecular weight of 497.52 g/mol, XLogP of 2.98, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]-(4-cyclopropylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 141428306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).