[2-(cyclopentylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate

C21H20N2O4 — CID 7503143

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
SMILESO=C(COC(=O)c1ccc2noc(-c3ccccc3)c2c1)NC1CCCC1
InChIInChI=1S/C21H20N2O4/c24-19(22-16-8-4-5-9-16)13-26-21(25)15-10-11-18-17(12-15)20(27-23-18)14-6-2-1-3-7-14/h1-3,6-7,10-12,16H,4-5,8-9,13H2,(H,22,24)
InChIKeyDAKIPUUTCMKGII-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.71
Rot. Bonds5

About [2-(cyclopentylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate

[2-(cyclopentylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate (PubChem CID 7503143) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
PubChem CID7503143
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
SMILESO=C(COC(=O)c1ccc2noc(-c3ccccc3)c2c1)NC1CCCC1
InChIInChI=1S/C21H20N2O4/c24-19(22-16-8-4-5-9-16)13-26-21(25)15-10-11-18-17(12-15)20(27-23-18)14-6-2-1-3-7-14/h1-3,6-7,10-12,16H,4-5,8-9,13H2,(H,22,24)
InChIKeyDAKIPUUTCMKGII-UHFFFAOYSA-N
XLogP3.71
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
CID 7503210
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
CID 8536923
N-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9210227
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
CID 18288950
[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
CID 86776500
[2-(4-cyanoanilino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
CID 8536736
[2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate
CID 2606533
[2-(cyclopropylamino)-2-oxoethyl] 2,3-diphenylquinoxaline-6-carboxylate
CID 23971722
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
CID 16572994
N-[(2S)-oxan-2-yl]oxy-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 52536018
[2-(2,5-difluorophenyl)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
CID 8536837
[2-(cycloheptylamino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 2430435

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate (CID 7503143) is [2-(cyclopentylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate is O=C(COC(=O)c1ccc2noc(-c3ccccc3)c2c1)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate?
The InChIKey is DAKIPUUTCMKGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-19(22-16-8-4-5-9-16)13-26-21(25)15-10-11-18-17(12-15)20(27-23-18)14-6-2-1-3-7-14/h1-3,6-7,10-12,16H,4-5,8-9,13H2,(H,22,24).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate?
[2-(cyclopentylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate has a molecular weight of 364.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate is sourced from PubChem (CID 7503143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).