4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butanoic acid

C22H21N3O4 — CID 10385777

IUPAC4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butanoic acid
SMILESCc1oc(-c2ccccc2)nc1COc1cccc2c1cnn2CCCC(=O)O
InChIInChI=1S/C22H21N3O4/c1-15-18(24-22(29-15)16-7-3-2-4-8-16)14-28-20-10-5-9-19-17(20)13-23-25(19)12-6-11-21(26)27/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,26,27)
InChIKeyIAFKXFPINCQKTC-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.44
Rot. Bonds8

About 4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butanoic acid

4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butanoic acid (PubChem CID 10385777) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butanoic acid
PubChem CID10385777
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butanoic acid
SMILESCc1oc(-c2ccccc2)nc1COc1cccc2c1cnn2CCCC(=O)O
InChIInChI=1S/C22H21N3O4/c1-15-18(24-22(29-15)16-7-3-2-4-8-16)14-28-20-10-5-9-19-17(20)13-23-25(19)12-6-11-21(26)27/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,26,27)
InChIKeyIAFKXFPINCQKTC-UHFFFAOYSA-N
XLogP4.44
TPSA90.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butanoic acid with MolForge

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Related Compounds

3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]propanoic acid
CID 10249871
2-[2-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68884245
2-[9-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]carbazol-4-yl]oxyacetic acid
CID 67139817
sodium 4-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxybutanoate
CID 59571763
2-[3-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-3-pyridinyl]methoxy]-2-pyridinyl]acetic acid
CID 10113580
1-[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
CID 51333609
3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pyrrolo[2,3-b]pyridin-1-yl]propanoic acid
CID 10385776
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-hydroxy-3-methylbenzoate
CID 16588903
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 24619168
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl naphthalene-1-carboxylate
CID 16588864
(7E)-7-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-7-phenylheptanoic acid
CID 11060312
8-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-8-phenyloctanoic acid
CID 54356396

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butanoic acid?
The IUPAC name of 4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butanoic acid (CID 10385777) is 4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butanoic acid?
The canonical SMILES for 4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butanoic acid is Cc1oc(-c2ccccc2)nc1COc1cccc2c1cnn2CCCC(=O)O.
What is the InChIKey of 4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butanoic acid?
The InChIKey is IAFKXFPINCQKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-15-18(24-22(29-15)16-7-3-2-4-8-16)14-28-20-10-5-9-19-17(20)13-23-25(19)12-6-11-21(26)27/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,26,27).
What are the key properties of 4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butanoic acid?
4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butanoic acid has a molecular weight of 391.43 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butanoic acid is sourced from PubChem (CID 10385777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).