2-[[5-[2-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]pyridine-3-carbonyl]amino]acetic acid

C32H29Cl2N3O5 — CID 142332299

IUPAC2-[[5-[2-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]pyridine-3-carbonyl]amino]acetic acid
SMILESCc1cccc(Cl)c1-c1noc(C2CC2)c1COc1ccc(C2CC2(C)c2cncc(C(=O)NCC(=O)O)c2)c(Cl)c1
InChIInChI=1S/C32H29Cl2N3O5/c1-17-4-3-5-25(33)28(17)29-23(30(42-37-29)18-6-7-18)16-41-21-8-9-22(26(34)11-21)24-12-32(24,2)20-10-19(13-35-14-20)31(40)36-15-27(38)39/h3-5,8-11,13-14,18,24H,6-7,12,15-16H2,1-2H3,(H,36,40)(H,38,39)
InChIKeyYNPBVJUZNGDDKP-UHFFFAOYSA-N
MW606.51 g/mol
LogP7.07
Rot. Bonds10

About 2-[[5-[2-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]pyridine-3-carbonyl]amino]acetic acid

2-[[5-[2-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]pyridine-3-carbonyl]amino]acetic acid (PubChem CID 142332299) has the molecular formula C32H29Cl2N3O5 and a molecular weight of 606.51 g/mol. Its IUPAC name is 2-[[5-[2-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]pyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-[2-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]pyridine-3-carbonyl]amino]acetic acid
PubChem CID142332299
Molecular FormulaC32H29Cl2N3O5
Molecular Weight606.51 g/mol
Exact Mass605.15
IUPAC Name2-[[5-[2-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]pyridine-3-carbonyl]amino]acetic acid
SMILESCc1cccc(Cl)c1-c1noc(C2CC2)c1COc1ccc(C2CC2(C)c2cncc(C(=O)NCC(=O)O)c2)c(Cl)c1
InChIInChI=1S/C32H29Cl2N3O5/c1-17-4-3-5-25(33)28(17)29-23(30(42-37-29)18-6-7-18)16-41-21-8-9-22(26(34)11-21)24-12-32(24,2)20-10-19(13-35-14-20)31(40)36-15-27(38)39/h3-5,8-11,13-14,18,24H,6-7,12,15-16H2,1-2H3,(H,36,40)(H,38,39)
InChIKeyYNPBVJUZNGDDKP-UHFFFAOYSA-N
XLogP7.07
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.51
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-[2-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]pyridine-3-carbonyl]amino]acetic acid 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

5-[2-[2-chloro-4-[[5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]pyridine-3-carboxylic acid
CID 134458105
5-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]pyridine-3-carboxylic acid
CID 134457947
5-[2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]pyridine-3-carboxylic acid
CID 66927383
2-[2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]-1,3-benzothiazole-6-carboxylic acid
CID 139405001
[2-[2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]-4-methyl-1,3-benzothiazol-6-yl] formate
CID 153422965
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
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
5-[2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]ethynyl]pyridine-3-carboxylic acid
CID 135358493
4-[(2S)-2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]benzoic acid
CID 171744983
[3-[2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]ethynyl]phenyl]carbamic acid
CID 135358802
bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-4-methylbenzoic acid);bis(3-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-5-methylbenzoic acid);bis(5-[3-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-3-hydroxycyclobutyl]-2-methylbenzoic acid)
CID 161363485
ethyl 2-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-2,3-dihydro-1-benzofuran-5-carboxylate
CID 130319438

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]pyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-[2-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]pyridine-3-carbonyl]amino]acetic acid (CID 142332299) is 2-[[5-[2-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]pyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-[2-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]pyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-[2-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]pyridine-3-carbonyl]amino]acetic acid is Cc1cccc(Cl)c1-c1noc(C2CC2)c1COc1ccc(C2CC2(C)c2cncc(C(=O)NCC(=O)O)c2)c(Cl)c1.
What is the InChIKey of 2-[[5-[2-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]pyridine-3-carbonyl]amino]acetic acid?
The InChIKey is YNPBVJUZNGDDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29Cl2N3O5/c1-17-4-3-5-25(33)28(17)29-23(30(42-37-29)18-6-7-18)16-41-21-8-9-22(26(34)11-21)24-12-32(24,2)20-10-19(13-35-14-20)31(40)36-15-27(38)39/h3-5,8-11,13-14,18,24H,6-7,12,15-16H2,1-2H3,(H,36,40)(H,38,39).
What are the key properties of 2-[[5-[2-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]pyridine-3-carbonyl]amino]acetic acid?
2-[[5-[2-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]pyridine-3-carbonyl]amino]acetic acid has a molecular weight of 606.51 g/mol, XLogP of 7.07, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-[2-chloro-4-[[3-(2-chloro-6-methylphenyl)-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]phenyl]-1-methylcyclopropyl]pyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 142332299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).