tert-butyl N-[5-[(5-ethoxy-2-phenyl-1,3-oxazole-4-carbonyl)amino]pentyl]carbamate

C22H31N3O5 — CID 11633090

IUPACtert-butyl N-[5-[(5-ethoxy-2-phenyl-1,3-oxazole-4-carbonyl)amino]pentyl]carbamate
SMILESCCOc1oc(-c2ccccc2)nc1C(=O)NCCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C22H31N3O5/c1-5-28-20-17(25-19(29-20)16-12-8-6-9-13-16)18(26)23-14-10-7-11-15-24-21(27)30-22(2,3)4/h6,8-9,12-13H,5,7,10-11,14-15H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyZQFPZRWXRIRYHF-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.17
Rot. Bonds10

About tert-butyl N-[5-[(5-ethoxy-2-phenyl-1,3-oxazole-4-carbonyl)amino]pentyl]carbamate

tert-butyl N-[5-[(5-ethoxy-2-phenyl-1,3-oxazole-4-carbonyl)amino]pentyl]carbamate (PubChem CID 11633090) has the molecular formula C22H31N3O5 and a molecular weight of 417.51 g/mol. Its IUPAC name is tert-butyl N-[5-[(5-ethoxy-2-phenyl-1,3-oxazole-4-carbonyl)amino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(5-ethoxy-2-phenyl-1,3-oxazole-4-carbonyl)amino]pentyl]carbamate
PubChem CID11633090
Molecular FormulaC22H31N3O5
Molecular Weight417.51 g/mol
Exact Mass417.23
IUPAC Nametert-butyl N-[5-[(5-ethoxy-2-phenyl-1,3-oxazole-4-carbonyl)amino]pentyl]carbamate
SMILESCCOc1oc(-c2ccccc2)nc1C(=O)NCCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C22H31N3O5/c1-5-28-20-17(25-19(29-20)16-12-8-6-9-13-16)18(26)23-14-10-7-11-15-24-21(27)30-22(2,3)4/h6,8-9,12-13H,5,7,10-11,14-15H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyZQFPZRWXRIRYHF-UHFFFAOYSA-N
XLogP4.17
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[11-[(2-methylpropan-2-yl)oxycarbonylamino]undecoxy]benzoic acid
CID 134353591
tert-butyl N-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]carbamate
CID 133482508
(2S)-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 135404940
tert-butyl N-[2-[(5-phenyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate
CID 15434960
benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 15286885
tert-butyl N-[6-(benzylamino)hexyl]carbamate
CID 10913810
tert-butyl N-[4-(acridin-9-ylamino)butyl]carbamate
CID 11291507
tert-butyl N-[2-[[4-(methylcarbamoyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate
CID 19596513
2-(3,5-dimethylphenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
CID 62885181
tert-butyl N-[4-[(2-sulfanylbenzoyl)amino]butyl]carbamate
CID 170912768
5-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 31011892
4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-tripyridin-2-ylphosphanium
CID 159133812

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(5-ethoxy-2-phenyl-1,3-oxazole-4-carbonyl)amino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-[(5-ethoxy-2-phenyl-1,3-oxazole-4-carbonyl)amino]pentyl]carbamate (CID 11633090) is tert-butyl N-[5-[(5-ethoxy-2-phenyl-1,3-oxazole-4-carbonyl)amino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[(5-ethoxy-2-phenyl-1,3-oxazole-4-carbonyl)amino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[(5-ethoxy-2-phenyl-1,3-oxazole-4-carbonyl)amino]pentyl]carbamate is CCOc1oc(-c2ccccc2)nc1C(=O)NCCCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[5-[(5-ethoxy-2-phenyl-1,3-oxazole-4-carbonyl)amino]pentyl]carbamate?
The InChIKey is ZQFPZRWXRIRYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5/c1-5-28-20-17(25-19(29-20)16-12-8-6-9-13-16)18(26)23-14-10-7-11-15-24-21(27)30-22(2,3)4/h6,8-9,12-13H,5,7,10-11,14-15H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of tert-butyl N-[5-[(5-ethoxy-2-phenyl-1,3-oxazole-4-carbonyl)amino]pentyl]carbamate?
tert-butyl N-[5-[(5-ethoxy-2-phenyl-1,3-oxazole-4-carbonyl)amino]pentyl]carbamate has a molecular weight of 417.51 g/mol, XLogP of 4.17, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(5-ethoxy-2-phenyl-1,3-oxazole-4-carbonyl)amino]pentyl]carbamate is sourced from PubChem (CID 11633090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).