ethyl 1-[4-[4-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate

C28H30N2O5 — CID 66659887

IUPACethyl 1-[4-[4-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4NC(=O)O[C@H](C)C4CC4)cc3)cc2)CC1
InChIInChI=1S/C28H30N2O5/c1-4-33-26(31)28(15-16-28)23-13-11-21(12-14-23)20-7-9-22(10-8-20)25-24(17(2)30-35-25)29-27(32)34-18(3)19-5-6-19/h7-14,18-19H,4-6,15-16H2,1-3H3,(H,29,32)/t18-/m1/s1
InChIKeyFBESNYWIDDWGCA-GOSISDBHSA-N
MW474.56 g/mol
LogP6.26
Rot. Bonds8

About ethyl 1-[4-[4-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate

ethyl 1-[4-[4-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate (PubChem CID 66659887) has the molecular formula C28H30N2O5 and a molecular weight of 474.56 g/mol. Its IUPAC name is ethyl 1-[4-[4-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[4-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
PubChem CID66659887
Molecular FormulaC28H30N2O5
Molecular Weight474.56 g/mol
Exact Mass474.22
IUPAC Nameethyl 1-[4-[4-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4NC(=O)O[C@H](C)C4CC4)cc3)cc2)CC1
InChIInChI=1S/C28H30N2O5/c1-4-33-26(31)28(15-16-28)23-13-11-21(12-14-23)20-7-9-22(10-8-20)25-24(17(2)30-35-25)29-27(32)34-18(3)19-5-6-19/h7-14,18-19H,4-6,15-16H2,1-3H3,(H,29,32)/t18-/m1/s1
InChIKeyFBESNYWIDDWGCA-GOSISDBHSA-N
XLogP6.26
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[4-[4-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate 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

ethyl 1-[4-[4-[4-(methoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 67523518
ethyl 1-[4-[4-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclobutane-1-carboxylate
CID 66660334
ethyl 1-[4-[4-[4-[[(1R)-1-(3-bromophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 118059223
ethyl 1-[4-[4-[3-methyl-4-[(1-methylcyclopentyl)oxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 70813934
ethyl 1-[4-[4-[3-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66660377
ethyl 4-[4-[4-[4-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]oxane-4-carboxylate
CID 71266743
2-[4-[4-[4-(1-cyclopropylethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]-2-oxabicyclo[2.2.2]octan-1-yl]acetic acid
CID 166783965
ethyl 1-[4-[4-[4-(hex-5-en-2-ylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66578699
ethyl 1-[4-[4-[3-methyl-4-(3-phenylpropanoylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66578355
ethyl 1-[4-[4-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopentane-1-carboxylate
CID 67479593
[(1R)-1-cyclobutylethyl] N-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]carbamate
CID 66660618
1-[4-[4-[4-(3,3-dimethylbutan-2-yloxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 67532874

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[4-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[4-[4-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate (CID 66659887) is ethyl 1-[4-[4-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[4-[4-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[4-[4-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate is CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4NC(=O)O[C@H](C)C4CC4)cc3)cc2)CC1.
What is the InChIKey of ethyl 1-[4-[4-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate?
The InChIKey is FBESNYWIDDWGCA-GOSISDBHSA-N. The full InChI is InChI=1S/C28H30N2O5/c1-4-33-26(31)28(15-16-28)23-13-11-21(12-14-23)20-7-9-22(10-8-20)25-24(17(2)30-35-25)29-27(32)34-18(3)19-5-6-19/h7-14,18-19H,4-6,15-16H2,1-3H3,(H,29,32)/t18-/m1/s1.
What are the key properties of ethyl 1-[4-[4-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate?
ethyl 1-[4-[4-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate has a molecular weight of 474.56 g/mol, XLogP of 6.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[4-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 66659887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).