ethyl 1-[4-[4-[3-methyl-4-[(1-methylcyclopentyl)oxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate

C29H32N2O5 — CID 70813934

IUPACethyl 1-[4-[4-[3-methyl-4-[(1-methylcyclopentyl)oxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4NC(=O)OC4(C)CCCC4)cc3)cc2)CC1
InChIInChI=1S/C29H32N2O5/c1-4-34-26(32)29(17-18-29)23-13-11-21(12-14-23)20-7-9-22(10-8-20)25-24(19(2)31-36-25)30-27(33)35-28(3)15-5-6-16-28/h7-14H,4-6,15-18H2,1-3H3,(H,30,33)
InChIKeyHEUUEKZSOPBQTE-UHFFFAOYSA-N
MW488.58 g/mol
LogP6.79
Rot. Bonds7

About ethyl 1-[4-[4-[3-methyl-4-[(1-methylcyclopentyl)oxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate

ethyl 1-[4-[4-[3-methyl-4-[(1-methylcyclopentyl)oxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate (PubChem CID 70813934) has the molecular formula C29H32N2O5 and a molecular weight of 488.58 g/mol. Its IUPAC name is ethyl 1-[4-[4-[3-methyl-4-[(1-methylcyclopentyl)oxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[4-[3-methyl-4-[(1-methylcyclopentyl)oxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
PubChem CID70813934
Molecular FormulaC29H32N2O5
Molecular Weight488.58 g/mol
Exact Mass488.23
IUPAC Nameethyl 1-[4-[4-[3-methyl-4-[(1-methylcyclopentyl)oxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4NC(=O)OC4(C)CCCC4)cc3)cc2)CC1
InChIInChI=1S/C29H32N2O5/c1-4-34-26(32)29(17-18-29)23-13-11-21(12-14-23)20-7-9-22(10-8-20)25-24(19(2)31-36-25)30-27(33)35-28(3)15-5-6-16-28/h7-14H,4-6,15-18H2,1-3H3,(H,30,33)
InChIKeyHEUUEKZSOPBQTE-UHFFFAOYSA-N
XLogP6.79
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.58
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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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-[4-[[(1R)-1-cyclopropylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66659887
ethyl 1-[4-[4-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopentane-1-carboxylate
CID 67479593
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-[3-methyl-4-(3-phenylpropanoylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66578355
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-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66660377
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-[1-[[1-oxo-1-(propylamino)propan-2-ylidene]amino]ethenylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 172995088
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-[4-[(6-cyclopentyl-2-pyridinyl)amino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 89451362
ethyl 1-[4-[4-(3-methyl-4-pentyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylate
CID 66579962

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[4-[3-methyl-4-[(1-methylcyclopentyl)oxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[4-[4-[3-methyl-4-[(1-methylcyclopentyl)oxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate (CID 70813934) is ethyl 1-[4-[4-[3-methyl-4-[(1-methylcyclopentyl)oxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[4-[4-[3-methyl-4-[(1-methylcyclopentyl)oxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[4-[4-[3-methyl-4-[(1-methylcyclopentyl)oxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate is CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4NC(=O)OC4(C)CCCC4)cc3)cc2)CC1.
What is the InChIKey of ethyl 1-[4-[4-[3-methyl-4-[(1-methylcyclopentyl)oxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate?
The InChIKey is HEUUEKZSOPBQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O5/c1-4-34-26(32)29(17-18-29)23-13-11-21(12-14-23)20-7-9-22(10-8-20)25-24(19(2)31-36-25)30-27(33)35-28(3)15-5-6-16-28/h7-14H,4-6,15-18H2,1-3H3,(H,30,33).
What are the key properties of ethyl 1-[4-[4-[3-methyl-4-[(1-methylcyclopentyl)oxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate?
ethyl 1-[4-[4-[3-methyl-4-[(1-methylcyclopentyl)oxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate has a molecular weight of 488.58 g/mol, XLogP of 6.79, 7 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-[(1-methylcyclopentyl)oxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 70813934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).