2,2-dimethyl-3-[5-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanoic acid

C31H37N3O4 — CID 58864523

IUPAC2,2-dimethyl-3-[5-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanoic acid
SMILESCc1oc(-c2ccc(N3CCCCC3)nc2)nc1CCOc1cccc2c1CCC=C2CC(C)(C)C(=O)O
InChIInChI=1S/C31H37N3O4/c1-21-26(33-29(38-21)23-13-14-28(32-20-23)34-16-5-4-6-17-34)15-18-37-27-12-8-10-24-22(9-7-11-25(24)27)19-31(2,3)30(35)36/h8-10,12-14,20H,4-7,11,15-19H2,1-3H3,(H,35,36)
InChIKeyCFRXJDBMLBRVQE-UHFFFAOYSA-N
MW515.65 g/mol
LogP6.49
Rot. Bonds9

About 2,2-dimethyl-3-[5-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanoic acid

2,2-dimethyl-3-[5-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanoic acid (PubChem CID 58864523) has the molecular formula C31H37N3O4 and a molecular weight of 515.65 g/mol. Its IUPAC name is 2,2-dimethyl-3-[5-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[5-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanoic acid
PubChem CID58864523
Molecular FormulaC31H37N3O4
Molecular Weight515.65 g/mol
Exact Mass515.28
IUPAC Name2,2-dimethyl-3-[5-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanoic acid
SMILESCc1oc(-c2ccc(N3CCCCC3)nc2)nc1CCOc1cccc2c1CCC=C2CC(C)(C)C(=O)O
InChIInChI=1S/C31H37N3O4/c1-21-26(33-29(38-21)23-13-14-28(32-20-23)34-16-5-4-6-17-34)15-18-37-27-12-8-10-24-22(9-7-11-25(24)27)19-31(2,3)30(35)36/h8-10,12-14,20H,4-7,11,15-19H2,1-3H3,(H,35,36)
InChIKeyCFRXJDBMLBRVQE-UHFFFAOYSA-N
XLogP6.49
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.65
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,2-dimethyl-3-[5-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanoic 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

2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydronaphthalen-1-yl]acetic acid
CID 10110882
2-[2-[3-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]phenyl]phenyl]acetic acid
CID 69496204
ethyl 3-[5-[2-[2-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanoate
CID 10367053
ethyl 3-[5-[2-[5-methyl-2-(5-methylpyrazin-2-yl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanoate
CID 57471799
ethyl 3-[5-[2-[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanoate
CID 57471794
N'-amino-3-[5-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanimidamide
CID 154536455
2-[4-(difluoromethoxy)phenyl]-4-[2-[[5-(3-ethoxybut-3-enyl)-7,8-dihydronaphthalen-1-yl]oxy]ethyl]-5-methyl-1,3-oxazole
CID 142150450
5-methyl-2-phenyl-4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-1,3-oxazole
CID 18003621
ethyl 3-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-quinolin-1-yl]propanoate
CID 10275818
3-[5-[2-(5-methyl-2-piperazin-1-yl-1,3-thiazol-4-yl)ethoxy]-3,4-dihydronaphthalen-1-yl]propanoic acid
CID 10224410
ethyl 5-[5-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-quinolin-1-yl]pentanoate
CID 10299269
3-[5-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-8-yl]propanoic acid
CID 11204036

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[5-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[5-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanoic acid (CID 58864523) is 2,2-dimethyl-3-[5-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[5-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[5-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanoic acid is Cc1oc(-c2ccc(N3CCCCC3)nc2)nc1CCOc1cccc2c1CCC=C2CC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[5-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanoic acid?
The InChIKey is CFRXJDBMLBRVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O4/c1-21-26(33-29(38-21)23-13-14-28(32-20-23)34-16-5-4-6-17-34)15-18-37-27-12-8-10-24-22(9-7-11-25(24)27)19-31(2,3)30(35)36/h8-10,12-14,20H,4-7,11,15-19H2,1-3H3,(H,35,36).
What are the key properties of 2,2-dimethyl-3-[5-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanoic acid?
2,2-dimethyl-3-[5-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanoic acid has a molecular weight of 515.65 g/mol, XLogP of 6.49, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[5-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanoic acid is sourced from PubChem (CID 58864523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).