5-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]-1-propan-2-ylpyrazole-3-carboxylic acid

C30H28Cl2N4O5 — CID 171355825

IUPAC5-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]-1-propan-2-ylpyrazole-3-carboxylic acid
SMILESCc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)ccc1C1=NOC(c2cc(C(=O)O)nn2C(C)C)C1
InChIInChI=1S/C30H28Cl2N4O5/c1-15(2)36-25(12-24(33-36)30(37)38)26-13-23(34-40-26)19-10-9-18(11-16(19)3)39-14-20-28(35-41-29(20)17-7-8-17)27-21(31)5-4-6-22(27)32/h4-6,9-12,15,17,26H,7-8,13-14H2,1-3H3,(H,37,38)
InChIKeyBXEIFHPPRWYTKS-UHFFFAOYSA-N
MW595.48 g/mol
LogP7.75
Rot. Bonds9

About 5-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]-1-propan-2-ylpyrazole-3-carboxylic acid

5-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]-1-propan-2-ylpyrazole-3-carboxylic acid (PubChem CID 171355825) has the molecular formula C30H28Cl2N4O5 and a molecular weight of 595.48 g/mol. Its IUPAC name is 5-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]-1-propan-2-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]-1-propan-2-ylpyrazole-3-carboxylic acid
PubChem CID171355825
Molecular FormulaC30H28Cl2N4O5
Molecular Weight595.48 g/mol
Exact Mass594.14
IUPAC Name5-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]-1-propan-2-ylpyrazole-3-carboxylic acid
SMILESCc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)ccc1C1=NOC(c2cc(C(=O)O)nn2C(C)C)C1
InChIInChI=1S/C30H28Cl2N4O5/c1-15(2)36-25(12-24(33-36)30(37)38)26-13-23(34-40-26)19-10-9-18(11-16(19)3)39-14-20-28(35-41-29(20)17-7-8-17)27-21(31)5-4-6-22(27)32/h4-6,9-12,15,17,26H,7-8,13-14H2,1-3H3,(H,37,38)
InChIKeyBXEIFHPPRWYTKS-UHFFFAOYSA-N
XLogP7.75
TPSA111.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.48
LogP ≤ 57.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]-1-propan-2-ylpyrazole-3-carboxylic acid with MolForge

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Related Compounds

5-[4-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-4-hydroxycyclohexyl]-1-propan-2-ylpyrazole-3-carboxylic acid
CID 121420293
5-[3-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-1-propan-2-ylpyrazole-3-carboxylic acid
CID 71205440
5-[5-[2-chloro-4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-1-propan-2-ylpyrazole-3-carboxylic acid
CID 135258523
6-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-1-methylindole-3-carboxylic acid
CID 24752299
[3-[2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]ethynyl]phenyl]carbamic acid
CID 135358802
2-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-5,6-dihydrobenzo[b][1]benzoxepine-9-carboxylic acid
CID 134215033
3-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-5,5,11-trioxo-6H-benzo[c][1]benzothiepine-9-carboxylic acid
CID 134215049
6-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 175734338
3-[2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]ethynyl]-5-methylbenzoic acid
CID 135358886
3-[5-[2-chloro-4-[[5-cyclopropyl-3-[2-(difluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]-4,5-dihydro-1,2-oxazol-3-yl]benzoic acid
CID 142402478
4-[2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]ethynyl]-1-(2-hydroxy-2-methylpropyl)-2-methylindole-6-carboxylic acid
CID 155755294
1-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-3-(2-methylphenyl)cyclobutan-1-ol
CID 90323924

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]-1-propan-2-ylpyrazole-3-carboxylic acid?
The IUPAC name of 5-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]-1-propan-2-ylpyrazole-3-carboxylic acid (CID 171355825) is 5-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]-1-propan-2-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]-1-propan-2-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]-1-propan-2-ylpyrazole-3-carboxylic acid is Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)ccc1C1=NOC(c2cc(C(=O)O)nn2C(C)C)C1.
What is the InChIKey of 5-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]-1-propan-2-ylpyrazole-3-carboxylic acid?
The InChIKey is BXEIFHPPRWYTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28Cl2N4O5/c1-15(2)36-25(12-24(33-36)30(37)38)26-13-23(34-40-26)19-10-9-18(11-16(19)3)39-14-20-28(35-41-29(20)17-7-8-17)27-21(31)5-4-6-22(27)32/h4-6,9-12,15,17,26H,7-8,13-14H2,1-3H3,(H,37,38).
What are the key properties of 5-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]-1-propan-2-ylpyrazole-3-carboxylic acid?
5-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]-1-propan-2-ylpyrazole-3-carboxylic acid has a molecular weight of 595.48 g/mol, XLogP of 7.75, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]-1-propan-2-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 171355825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).