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

C30H29N3O5 — CID 67523532

IUPACethyl 1-[4-[5-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4NC(=O)OCCc4ccccc4)cn3)cc2)CC1
InChIInChI=1S/C30H29N3O5/c1-3-36-28(34)30(16-17-30)24-12-9-22(10-13-24)25-14-11-23(19-31-25)27-26(20(2)33-38-27)32-29(35)37-18-15-21-7-5-4-6-8-21/h4-14,19H,3,15-18H2,1-2H3,(H,32,35)
InChIKeyTWAWBGZLXSOLOO-UHFFFAOYSA-N
MW511.58 g/mol
LogP6.10
Rot. Bonds9

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

ethyl 1-[4-[5-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]phenyl]cyclopropane-1-carboxylate (PubChem CID 67523532) has the molecular formula C30H29N3O5 and a molecular weight of 511.58 g/mol. Its IUPAC name is ethyl 1-[4-[5-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[5-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]phenyl]cyclopropane-1-carboxylate
PubChem CID67523532
Molecular FormulaC30H29N3O5
Molecular Weight511.58 g/mol
Exact Mass511.21
IUPAC Nameethyl 1-[4-[5-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4NC(=O)OCCc4ccccc4)cn3)cc2)CC1
InChIInChI=1S/C30H29N3O5/c1-3-36-28(34)30(16-17-30)24-12-9-22(10-13-24)25-14-11-23(19-31-25)27-26(20(2)33-38-27)32-29(35)37-18-15-21-7-5-4-6-8-21/h4-14,19H,3,15-18H2,1-2H3,(H,32,35)
InChIKeyTWAWBGZLXSOLOO-UHFFFAOYSA-N
XLogP6.10
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.58
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

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-(3-phenylpropanoylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66578355
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-[4-(1,3-diphenylpropylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66579431
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-[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-cyclopropylethoxy]carbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 66659887
ethyl 1-[4-[4-[3-methyl-4-[(1-methylcyclopentyl)oxycarbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 70813934
methyl 2-[6-[6-[4-[2-(2-fluorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]-3-pyridinyl]-3-pyridinyl]acetate
CID 68752285
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

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[5-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]phenyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[4-[5-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]phenyl]cyclopropane-1-carboxylate (CID 67523532) is ethyl 1-[4-[5-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[4-[5-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[4-[5-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]phenyl]cyclopropane-1-carboxylate is CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4NC(=O)OCCc4ccccc4)cn3)cc2)CC1.
What is the InChIKey of ethyl 1-[4-[5-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]phenyl]cyclopropane-1-carboxylate?
The InChIKey is TWAWBGZLXSOLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O5/c1-3-36-28(34)30(16-17-30)24-12-9-22(10-13-24)25-14-11-23(19-31-25)27-26(20(2)33-38-27)32-29(35)37-18-15-21-7-5-4-6-8-21/h4-14,19H,3,15-18H2,1-2H3,(H,32,35).
What are the key properties of ethyl 1-[4-[5-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]phenyl]cyclopropane-1-carboxylate?
ethyl 1-[4-[5-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]phenyl]cyclopropane-1-carboxylate has a molecular weight of 511.58 g/mol, XLogP of 6.10, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[5-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]-2-pyridinyl]phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 67523532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).