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

C19H23N3O4 — CID 67354653

IUPACethyl 3-[4-(cyclohexylcarbamoylamino)phenyl]-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(NC(=O)NC3CCCCC3)cc2)no1
InChIInChI=1S/C19H23N3O4/c1-2-25-18(23)17-12-16(22-26-17)13-8-10-15(11-9-13)21-19(24)20-14-6-4-3-5-7-14/h8-12,14H,2-7H2,1H3,(H2,20,21,24)
InChIKeyNKSLPHLKTWJCCH-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.97
Rot. Bonds5

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

ethyl 3-[4-(cyclohexylcarbamoylamino)phenyl]-1,2-oxazole-5-carboxylate (PubChem CID 67354653) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is ethyl 3-[4-(cyclohexylcarbamoylamino)phenyl]-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[4-(cyclohexylcarbamoylamino)phenyl]-1,2-oxazole-5-carboxylate
PubChem CID67354653
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Nameethyl 3-[4-(cyclohexylcarbamoylamino)phenyl]-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(NC(=O)NC3CCCCC3)cc2)no1
InChIInChI=1S/C19H23N3O4/c1-2-25-18(23)17-12-16(22-26-17)13-8-10-15(11-9-13)21-19(24)20-14-6-4-3-5-7-14/h8-12,14H,2-7H2,1H3,(H2,20,21,24)
InChIKeyNKSLPHLKTWJCCH-UHFFFAOYSA-N
XLogP3.97
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(cyclododecylcarbamothioylamino)benzoate
CID 19652499
ethyl 3-(4-amino-3-methylphenyl)-1,2-oxazole-5-carboxylate
CID 67353967
ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate
CID 112989391
1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-cyclohexylurea
CID 112503079
butyl 4-(cyclohexylcarbamoylamino)benzoate
CID 5108905
ethyl 1-[4-(cyclopentylcarbamoylamino)phenyl]pyrazole-3-carboxylate
CID 60577223
ethyl 3-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-5-carboxylate
CID 139453528
4-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076103
ethyl 3-(cyclobutylcarbamoylamino)benzoate
CID 3737149
1-cyclopentyl-3-(4-propoxyphenyl)urea
CID 110774502
ethyl 3-(cyclohexylcarbamoylamino)-4-methylbenzoate
CID 100744542
1-cyclohexyl-3-[4-(hydroxymethyl)phenyl]urea
CID 64793584

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(cyclohexylcarbamoylamino)phenyl]-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 3-[4-(cyclohexylcarbamoylamino)phenyl]-1,2-oxazole-5-carboxylate (CID 67354653) is ethyl 3-[4-(cyclohexylcarbamoylamino)phenyl]-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[4-(cyclohexylcarbamoylamino)phenyl]-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 3-[4-(cyclohexylcarbamoylamino)phenyl]-1,2-oxazole-5-carboxylate is CCOC(=O)c1cc(-c2ccc(NC(=O)NC3CCCCC3)cc2)no1.
What is the InChIKey of ethyl 3-[4-(cyclohexylcarbamoylamino)phenyl]-1,2-oxazole-5-carboxylate?
The InChIKey is NKSLPHLKTWJCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-2-25-18(23)17-12-16(22-26-17)13-8-10-15(11-9-13)21-19(24)20-14-6-4-3-5-7-14/h8-12,14H,2-7H2,1H3,(H2,20,21,24).
What are the key properties of ethyl 3-[4-(cyclohexylcarbamoylamino)phenyl]-1,2-oxazole-5-carboxylate?
ethyl 3-[4-(cyclohexylcarbamoylamino)phenyl]-1,2-oxazole-5-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(cyclohexylcarbamoylamino)phenyl]-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 67354653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).