2-[(5-amino-4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl-tert-butylcarbamic acid

C17H22N4O4 — CID 70365240

IUPAC2-[(5-amino-4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CCNC(=O)c1noc(N)c1-c1ccccc1)C(=O)O
InChIInChI=1S/C17H22N4O4/c1-17(2,3)21(16(23)24)10-9-19-15(22)13-12(14(18)25-20-13)11-7-5-4-6-8-11/h4-8H,9-10,18H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyJGLASHICWRBKJU-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.43
Rot. Bonds5

About 2-[(5-amino-4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl-tert-butylcarbamic acid

2-[(5-amino-4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl-tert-butylcarbamic acid (PubChem CID 70365240) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[(5-amino-4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl-tert-butylcarbamic acid.

Molecular Properties

Compound Name2-[(5-amino-4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl-tert-butylcarbamic acid
PubChem CID70365240
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name2-[(5-amino-4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CCNC(=O)c1noc(N)c1-c1ccccc1)C(=O)O
InChIInChI=1S/C17H22N4O4/c1-17(2,3)21(16(23)24)10-9-19-15(22)13-12(14(18)25-20-13)11-7-5-4-6-8-11/h4-8H,9-10,18H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyJGLASHICWRBKJU-UHFFFAOYSA-N
XLogP2.43
TPSA121.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl-tert-butylcarbamic acid?
The IUPAC name of 2-[(5-amino-4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl-tert-butylcarbamic acid (CID 70365240) is 2-[(5-amino-4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl-tert-butylcarbamic acid.
What is the SMILES notation for 2-[(5-amino-4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl-tert-butylcarbamic acid?
The canonical SMILES for 2-[(5-amino-4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl-tert-butylcarbamic acid is CC(C)(C)N(CCNC(=O)c1noc(N)c1-c1ccccc1)C(=O)O.
What is the InChIKey of 2-[(5-amino-4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl-tert-butylcarbamic acid?
The InChIKey is JGLASHICWRBKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-17(2,3)21(16(23)24)10-9-19-15(22)13-12(14(18)25-20-13)11-7-5-4-6-8-11/h4-8H,9-10,18H2,1-3H3,(H,19,22)(H,23,24).
What are the key properties of 2-[(5-amino-4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl-tert-butylcarbamic acid?
2-[(5-amino-4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl-tert-butylcarbamic acid has a molecular weight of 346.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl-tert-butylcarbamic acid is sourced from PubChem (CID 70365240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).