2-[4-[8-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-1,2,3,4-tetrahydroquinolin-5-yl]phenyl]acetic acid

C30H29N3O5 — CID 71266608

IUPAC2-[4-[8-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-1,2,3,4-tetrahydroquinolin-5-yl]phenyl]acetic acid
SMILESCc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)c3c2NCCC3)c1NC(=O)OC(C)c1ccccc1
InChIInChI=1S/C30H29N3O5/c1-18-27(32-30(36)37-19(2)21-7-4-3-5-8-21)29(38-33-18)25-15-14-23(24-9-6-16-31-28(24)25)22-12-10-20(11-13-22)17-26(34)35/h3-5,7-8,10-15,19,31H,6,9,16-17H2,1-2H3,(H,32,36)(H,34,35)
InChIKeySUDCVCVZOSCPKY-UHFFFAOYSA-N
MW511.58 g/mol
LogP6.61
Rot. Bonds7

About 2-[4-[8-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-1,2,3,4-tetrahydroquinolin-5-yl]phenyl]acetic acid

2-[4-[8-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-1,2,3,4-tetrahydroquinolin-5-yl]phenyl]acetic acid (PubChem CID 71266608) has the molecular formula C30H29N3O5 and a molecular weight of 511.58 g/mol. Its IUPAC name is 2-[4-[8-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-1,2,3,4-tetrahydroquinolin-5-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[8-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-1,2,3,4-tetrahydroquinolin-5-yl]phenyl]acetic acid
PubChem CID71266608
Molecular FormulaC30H29N3O5
Molecular Weight511.58 g/mol
Exact Mass511.21
IUPAC Name2-[4-[8-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-1,2,3,4-tetrahydroquinolin-5-yl]phenyl]acetic acid
SMILESCc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)c3c2NCCC3)c1NC(=O)OC(C)c1ccccc1
InChIInChI=1S/C30H29N3O5/c1-18-27(32-30(36)37-19(2)21-7-4-3-5-8-21)29(38-33-18)25-15-14-23(24-9-6-16-31-28(24)25)22-12-10-20(11-13-22)17-26(34)35/h3-5,7-8,10-15,19,31H,6,9,16-17H2,1-2H3,(H,32,36)(H,34,35)
InChIKeySUDCVCVZOSCPKY-UHFFFAOYSA-N
XLogP6.61
TPSA113.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.58
LogP ≤ 56.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[8-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-1,2,3,4-tetrahydroquinolin-5-yl]phenyl]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

2-[4-[5-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]-1,2,3,4-tetrahydroisoquinolin-8-yl]phenyl]acetic acid
CID 71266544
2-[4-[8-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-1,2-oxazol-5-yl]-1,2,3,4-tetrahydroquinolin-5-yl]phenyl]acetic acid
CID 71265840
2-[7-[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]-2,3-dihydro-1H-inden-4-yl]acetic acid
CID 71265223
2-[3-[4-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]acetic acid
CID 46238997
2-[4-[7-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-3H-imidazo[4,5-c]pyridin-4-yl]phenyl]acetic acid
CID 71265835
2-[4-[4-[3-methyl-4-[[(1R)-1-(2-methylphenyl)ethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]acetic acid
CID 46239000
2-aminoethyl 2-[4-[4-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]acetate
CID 70651118
1-phenylethyl N-[5-[4-(chloromethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamate
CID 90769298
4-[3-methyl-4-[[(1S)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]benzoic acid
CID 90427679
1-[4-[7-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2,3-dihydro-1-benzofuran-4-yl]phenyl]cyclopropane-1-carboxylic acid
CID 71265161
1-phenylethyl N-[5-[4-(2,3-dihydro-1H-inden-5-yl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamate
CID 159784936
4-[4-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]benzoic acid
CID 67352405

Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-1,2,3,4-tetrahydroquinolin-5-yl]phenyl]acetic acid?
The IUPAC name of 2-[4-[8-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-1,2,3,4-tetrahydroquinolin-5-yl]phenyl]acetic acid (CID 71266608) is 2-[4-[8-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-1,2,3,4-tetrahydroquinolin-5-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[8-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-1,2,3,4-tetrahydroquinolin-5-yl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[8-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-1,2,3,4-tetrahydroquinolin-5-yl]phenyl]acetic acid is Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)c3c2NCCC3)c1NC(=O)OC(C)c1ccccc1.
What is the InChIKey of 2-[4-[8-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-1,2,3,4-tetrahydroquinolin-5-yl]phenyl]acetic acid?
The InChIKey is SUDCVCVZOSCPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O5/c1-18-27(32-30(36)37-19(2)21-7-4-3-5-8-21)29(38-33-18)25-15-14-23(24-9-6-16-31-28(24)25)22-12-10-20(11-13-22)17-26(34)35/h3-5,7-8,10-15,19,31H,6,9,16-17H2,1-2H3,(H,32,36)(H,34,35).
What are the key properties of 2-[4-[8-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-1,2,3,4-tetrahydroquinolin-5-yl]phenyl]acetic acid?
2-[4-[8-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-1,2,3,4-tetrahydroquinolin-5-yl]phenyl]acetic acid has a molecular weight of 511.58 g/mol, XLogP of 6.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-[3-methyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-1,2,3,4-tetrahydroquinolin-5-yl]phenyl]acetic acid is sourced from PubChem (CID 71266608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).