tert-butyl-[2-[[5-(3-chlorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamic acid

C17H20ClN3O4 — CID 70365322

IUPACtert-butyl-[2-[[5-(3-chlorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamic acid
SMILESCC(C)(C)N(CCNC(=O)c1ncoc1-c1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C17H20ClN3O4/c1-17(2,3)21(16(23)24)8-7-19-15(22)13-14(25-10-20-13)11-5-4-6-12(18)9-11/h4-6,9-10H,7-8H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyLRFALRKJDJOTCX-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.50
Rot. Bonds5

About tert-butyl-[2-[[5-(3-chlorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamic acid

tert-butyl-[2-[[5-(3-chlorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamic acid (PubChem CID 70365322) has the molecular formula C17H20ClN3O4 and a molecular weight of 365.82 g/mol. Its IUPAC name is tert-butyl-[2-[[5-(3-chlorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-[[5-(3-chlorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamic acid
PubChem CID70365322
Molecular FormulaC17H20ClN3O4
Molecular Weight365.82 g/mol
Exact Mass365.11
IUPAC Nametert-butyl-[2-[[5-(3-chlorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamic acid
SMILESCC(C)(C)N(CCNC(=O)c1ncoc1-c1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C17H20ClN3O4/c1-17(2,3)21(16(23)24)8-7-19-15(22)13-14(25-10-20-13)11-5-4-6-12(18)9-11/h4-6,9-10H,7-8H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyLRFALRKJDJOTCX-UHFFFAOYSA-N
XLogP3.50
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chlorophenyl)-N-[(2R)-2-phenylpropyl]-1,3-oxazole-4-carboxamide
CID 92711313
5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963781
1-[5-(3-chlorophenyl)-1,3-oxazol-4-yl]ethanone
CID 123160413
5-(3-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963803
5-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963785
5-(3-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 2739761
N-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 19768719
tert-butyl-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamic acid
CID 70365205
2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid
CID 67884067
5-(3-chlorophenyl)-N-(2,5-difluorophenyl)-1,3-oxazole-4-carboxamide
CID 3232315
2-[(5-amino-4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl-tert-butylcarbamic acid
CID 70365240
N-(3-chlorophenyl)-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963631

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[[5-(3-chlorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamic acid?
The IUPAC name of tert-butyl-[2-[[5-(3-chlorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamic acid (CID 70365322) is tert-butyl-[2-[[5-(3-chlorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-[[5-(3-chlorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamic acid?
The canonical SMILES for tert-butyl-[2-[[5-(3-chlorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamic acid is CC(C)(C)N(CCNC(=O)c1ncoc1-c1cccc(Cl)c1)C(=O)O.
What is the InChIKey of tert-butyl-[2-[[5-(3-chlorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamic acid?
The InChIKey is LRFALRKJDJOTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4/c1-17(2,3)21(16(23)24)8-7-19-15(22)13-14(25-10-20-13)11-5-4-6-12(18)9-11/h4-6,9-10H,7-8H2,1-3H3,(H,19,22)(H,23,24).
What are the key properties of tert-butyl-[2-[[5-(3-chlorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamic acid?
tert-butyl-[2-[[5-(3-chlorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamic acid has a molecular weight of 365.82 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[[5-(3-chlorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamic acid is sourced from PubChem (CID 70365322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).