3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pyrrolo[2,3-b]pyridin-1-yl]propanoic acid

C22H21N3O4 — CID 10385776

IUPAC3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pyrrolo[2,3-b]pyridin-1-yl]propanoic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccnc2c1ccn2CCC(=O)O
InChIInChI=1S/C22H21N3O4/c1-15-18(24-22(29-15)16-5-3-2-4-6-16)10-14-28-19-7-11-23-21-17(19)8-12-25(21)13-9-20(26)27/h2-8,11-12H,9-10,13-14H2,1H3,(H,26,27)
InChIKeySIWGZWFFUCNNLY-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.10
Rot. Bonds8

About 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pyrrolo[2,3-b]pyridin-1-yl]propanoic acid

3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pyrrolo[2,3-b]pyridin-1-yl]propanoic acid (PubChem CID 10385776) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pyrrolo[2,3-b]pyridin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pyrrolo[2,3-b]pyridin-1-yl]propanoic acid
PubChem CID10385776
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pyrrolo[2,3-b]pyridin-1-yl]propanoic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccnc2c1ccn2CCC(=O)O
InChIInChI=1S/C22H21N3O4/c1-15-18(24-22(29-15)16-5-3-2-4-6-16)10-14-28-19-7-11-23-21-17(19)8-12-25(21)13-9-20(26)27/h2-8,11-12H,9-10,13-14H2,1H3,(H,26,27)
InChIKeySIWGZWFFUCNNLY-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,3,3-trifluoro-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]methyl]-2-pyrrol-1-ylpropanoic acid
CID 59096879
3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]propanoic acid
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3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-[[(2-phenoxyacetyl)amino]methyl]phenyl]propanoic acid
CID 58979455
3-[2-methyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 58979220
4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzofuran-7-carbaldehyde
CID 18003567
3-[3-(benzamidomethyl)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 58979106
3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-phenylmethoxycarbonyl-1,3-dihydroisoindol-4-yl]propanoic acid
CID 11353006
2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydronaphthalen-1-yl]acetic acid
CID 10110882
3-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]propanoic acid
CID 82131267
2-[carboxymethyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 11189438
4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]indazol-1-yl]butanoic acid
CID 10385777
3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-nitrophenyl]propanoic acid
CID 139706544

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pyrrolo[2,3-b]pyridin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pyrrolo[2,3-b]pyridin-1-yl]propanoic acid (CID 10385776) is 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pyrrolo[2,3-b]pyridin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pyrrolo[2,3-b]pyridin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pyrrolo[2,3-b]pyridin-1-yl]propanoic acid is Cc1oc(-c2ccccc2)nc1CCOc1ccnc2c1ccn2CCC(=O)O.
What is the InChIKey of 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pyrrolo[2,3-b]pyridin-1-yl]propanoic acid?
The InChIKey is SIWGZWFFUCNNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-15-18(24-22(29-15)16-5-3-2-4-6-16)10-14-28-19-7-11-23-21-17(19)8-12-25(21)13-9-20(26)27/h2-8,11-12H,9-10,13-14H2,1H3,(H,26,27).
What are the key properties of 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pyrrolo[2,3-b]pyridin-1-yl]propanoic acid?
3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pyrrolo[2,3-b]pyridin-1-yl]propanoic acid has a molecular weight of 391.43 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]pyrrolo[2,3-b]pyridin-1-yl]propanoic acid is sourced from PubChem (CID 10385776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).