ethyl 1-[4-[4-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopentane-1-carboxylate

C33H34N2O5 — CID 67479593

IUPACethyl 1-[4-[4-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4NC(=O)OCCc4ccccc4)cc3)cc2)CCCC1
InChIInChI=1S/C33H34N2O5/c1-3-38-31(36)33(20-7-8-21-33)28-17-15-26(16-18-28)25-11-13-27(14-12-25)30-29(23(2)35-40-30)34-32(37)39-22-19-24-9-5-4-6-10-24/h4-6,9-18H,3,7-8,19-22H2,1-2H3,(H,34,37)
InChIKeyKEARGSAVFKOTFH-UHFFFAOYSA-N
MW538.64 g/mol
LogP7.48
Rot. Bonds9

About ethyl 1-[4-[4-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopentane-1-carboxylate

ethyl 1-[4-[4-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopentane-1-carboxylate (PubChem CID 67479593) has the molecular formula C33H34N2O5 and a molecular weight of 538.64 g/mol. Its IUPAC name is ethyl 1-[4-[4-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[4-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopentane-1-carboxylate
PubChem CID67479593
Molecular FormulaC33H34N2O5
Molecular Weight538.64 g/mol
Exact Mass538.25
IUPAC Nameethyl 1-[4-[4-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4NC(=O)OCCc4ccccc4)cc3)cc2)CCCC1
InChIInChI=1S/C33H34N2O5/c1-3-38-31(36)33(20-7-8-21-33)28-17-15-26(16-18-28)25-11-13-27(14-12-25)30-29(23(2)35-40-30)34-32(37)39-22-19-24-9-5-4-6-10-24/h4-6,9-18H,3,7-8,19-22H2,1-2H3,(H,34,37)
InChIKeyKEARGSAVFKOTFH-UHFFFAOYSA-N
XLogP7.48
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.64
LogP ≤ 57.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[4-[4-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopentane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-[4-[5-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]phenyl]cyclopropane-1-carboxylate
CID 67523532
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-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclobutane-1-carboxylate
CID 66660334
1-[4-[4-[4-[2-(4-methoxyphenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 67479465
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-[(1-methylcyclopentyl)oxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 70813934
1-[4-[4-[3-methyl-4-[2-(2-methylphenyl)ethoxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 67479846
ethyl 1-[4-[4-[4-(1,3-diphenylpropylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66579431
ethyl 1-[4-[4-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66659887
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
ethyl 1-[4-[4-[3-methyl-4-[methyl(4-phenylbutan-2-yl)amino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66578145
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

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[4-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-[4-[4-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopentane-1-carboxylate (CID 67479593) is ethyl 1-[4-[4-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-[4-[4-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-[4-[4-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopentane-1-carboxylate is CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4NC(=O)OCCc4ccccc4)cc3)cc2)CCCC1.
What is the InChIKey of ethyl 1-[4-[4-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopentane-1-carboxylate?
The InChIKey is KEARGSAVFKOTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O5/c1-3-38-31(36)33(20-7-8-21-33)28-17-15-26(16-18-28)25-11-13-27(14-12-25)30-29(23(2)35-40-30)34-32(37)39-22-19-24-9-5-4-6-10-24/h4-6,9-18H,3,7-8,19-22H2,1-2H3,(H,34,37).
What are the key properties of ethyl 1-[4-[4-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopentane-1-carboxylate?
ethyl 1-[4-[4-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopentane-1-carboxylate has a molecular weight of 538.64 g/mol, XLogP of 7.48, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[4-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 67479593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).