ethyl 5-[2-(cycloheptylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate

C20H24N2O4 — CID 20973901

IUPACethyl 5-[2-(cycloheptylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1ccccc1C(=O)NC1CCCCCC1
InChIInChI=1S/C20H24N2O4/c1-2-25-20(24)17-18(26-13-21-17)15-11-7-8-12-16(15)19(23)22-14-9-5-3-4-6-10-14/h7-8,11-14H,2-6,9-10H2,1H3,(H,22,23)
InChIKeyBLNIOXMCXAAGTJ-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.97
Rot. Bonds5

About ethyl 5-[2-(cycloheptylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate

ethyl 5-[2-(cycloheptylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate (PubChem CID 20973901) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is ethyl 5-[2-(cycloheptylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(cycloheptylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate
PubChem CID20973901
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Nameethyl 5-[2-(cycloheptylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1ccccc1C(=O)NC1CCCCCC1
InChIInChI=1S/C20H24N2O4/c1-2-25-20(24)17-18(26-13-21-17)15-11-7-8-12-16(15)19(23)22-14-9-5-3-4-6-10-14/h7-8,11-14H,2-6,9-10H2,1H3,(H,22,23)
InChIKeyBLNIOXMCXAAGTJ-UHFFFAOYSA-N
XLogP3.97
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[2-(cyclohexylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate
CID 20973922
ethyl 5-[2-(4-methylpiperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxylate
CID 46387154
N-cyclopentyl-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 53122915
N-cyclopropyl-5-[2-[(4-methylphenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 53122887
ethyl 5-(3-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 107099722
ethyl 2-[[5-(cycloheptylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109161084
ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 100802140
ethyl 5-[2-(4-methylsulfanylphenyl)phenyl]-1,3-oxazole-4-carboxylate
CID 175523587
propan-2-yl 5-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate
CID 46387177
ethyl 2-[[5-(cycloheptylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109287547
ethyl 2-[[4-(cycloheptylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109311613
ethyl 5-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 82891107

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(cycloheptylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-[2-(cycloheptylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate (CID 20973901) is ethyl 5-[2-(cycloheptylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[2-(cycloheptylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-[2-(cycloheptylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1-c1ccccc1C(=O)NC1CCCCCC1.
What is the InChIKey of ethyl 5-[2-(cycloheptylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate?
The InChIKey is BLNIOXMCXAAGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-2-25-20(24)17-18(26-13-21-17)15-11-7-8-12-16(15)19(23)22-14-9-5-3-4-6-10-14/h7-8,11-14H,2-6,9-10H2,1H3,(H,22,23).
What are the key properties of ethyl 5-[2-(cycloheptylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate?
ethyl 5-[2-(cycloheptylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate has a molecular weight of 356.42 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(cycloheptylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 20973901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).