4-cyclopropyl-2-[[5-[3-methyl-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]butanoic acid

C25H27N3O6 — CID 172771306

IUPAC4-cyclopropyl-2-[[5-[3-methyl-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]butanoic acid
SMILESCc1noc(NC(=O)OC(C)c2ccccc2)c1-c1ccc(OC(CCC2CC2)C(=O)O)nc1
InChIInChI=1S/C25H27N3O6/c1-15-22(23(34-28-15)27-25(31)32-16(2)18-6-4-3-5-7-18)19-11-13-21(26-14-19)33-20(24(29)30)12-10-17-8-9-17/h3-7,11,13-14,16-17,20H,8-10,12H2,1-2H3,(H,27,31)(H,29,30)
InChIKeyMZIHJTGUKBDYGZ-UHFFFAOYSA-N
MW465.51 g/mol
LogP5.38
Rot. Bonds10

About 4-cyclopropyl-2-[[5-[3-methyl-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]butanoic acid

4-cyclopropyl-2-[[5-[3-methyl-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]butanoic acid (PubChem CID 172771306) has the molecular formula C25H27N3O6 and a molecular weight of 465.51 g/mol. Its IUPAC name is 4-cyclopropyl-2-[[5-[3-methyl-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]butanoic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-[[5-[3-methyl-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]butanoic acid
PubChem CID172771306
Molecular FormulaC25H27N3O6
Molecular Weight465.51 g/mol
Exact Mass465.19
IUPAC Name4-cyclopropyl-2-[[5-[3-methyl-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]butanoic acid
SMILESCc1noc(NC(=O)OC(C)c2ccccc2)c1-c1ccc(OC(CCC2CC2)C(=O)O)nc1
InChIInChI=1S/C25H27N3O6/c1-15-22(23(34-28-15)27-25(31)32-16(2)18-6-4-3-5-7-18)19-11-13-21(26-14-19)33-20(24(29)30)12-10-17-8-9-17/h3-7,11,13-14,16-17,20H,8-10,12H2,1-2H3,(H,27,31)(H,29,30)
InChIKeyMZIHJTGUKBDYGZ-UHFFFAOYSA-N
XLogP5.38
TPSA123.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.51
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-cyclopropyl-2-[[5-[3-methyl-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]butanoic 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

3-cyclopropyl-2-[[5-[3-methyl-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]amino]propanoic acid
CID 172731645
4-cyclopropyl-2-[[4-[3-methyl-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]benzoyl]amino]butanoic acid
CID 172724894
3-cyclopropyl-2-methyl-2-[[5-[3-methyl-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]amino]propanoic acid
CID 172816458
2-[[5-[3-fluoro-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]-2-methyl-3-phenylpropanoic acid
CID 172804726
3-cyclopropyl-2-[[5-[3-fluoro-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]amino]propanoic acid
CID 90427426
2-[1-[1-[4-[3-methyl-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]phenyl]piperidin-2-yl]cyclopropyl]acetic acid
CID 172718077
3-cyclopropyl-2-[[4-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]benzoyl]amino]propanoic acid
CID 90427068
[(1R)-1-phenylethyl] N-[5-(6-chloro-3-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate
CID 88993053
4-cyclopropyl-2-[[4-[1-ethyl-4-(1-phenylethoxycarbonylamino)pyrazol-3-yl]phenyl]methoxy]butanoic acid
CID 172708928
2-[4-[5-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]-2-pyridinyl]phenyl]butanoic acid
CID 70875847
4-[3-methyl-4-[[(1S)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]benzoic acid
CID 90427679
[5-[4-(chloromethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid;(2R)-3-cyclopropyl-2-[[4-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]methylamino]propanoic acid
CID 159063140

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[[5-[3-methyl-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]butanoic acid?
The IUPAC name of 4-cyclopropyl-2-[[5-[3-methyl-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]butanoic acid (CID 172771306) is 4-cyclopropyl-2-[[5-[3-methyl-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]butanoic acid.
What is the SMILES notation for 4-cyclopropyl-2-[[5-[3-methyl-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]butanoic acid?
The canonical SMILES for 4-cyclopropyl-2-[[5-[3-methyl-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]butanoic acid is Cc1noc(NC(=O)OC(C)c2ccccc2)c1-c1ccc(OC(CCC2CC2)C(=O)O)nc1.
What is the InChIKey of 4-cyclopropyl-2-[[5-[3-methyl-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]butanoic acid?
The InChIKey is MZIHJTGUKBDYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6/c1-15-22(23(34-28-15)27-25(31)32-16(2)18-6-4-3-5-7-18)19-11-13-21(26-14-19)33-20(24(29)30)12-10-17-8-9-17/h3-7,11,13-14,16-17,20H,8-10,12H2,1-2H3,(H,27,31)(H,29,30).
What are the key properties of 4-cyclopropyl-2-[[5-[3-methyl-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]butanoic acid?
4-cyclopropyl-2-[[5-[3-methyl-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]butanoic acid has a molecular weight of 465.51 g/mol, XLogP of 5.38, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[[5-[3-methyl-5-(1-phenylethoxycarbonylamino)-1,2-oxazol-4-yl]-2-pyridinyl]oxy]butanoic acid is sourced from PubChem (CID 172771306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).