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

C17H21N3O4 — CID 70365205

IUPACtert-butyl-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamic acid
SMILESCC(C)(C)N(CCNC(=O)c1nocc1-c1ccccc1)C(=O)O
InChIInChI=1S/C17H21N3O4/c1-17(2,3)20(16(22)23)10-9-18-15(21)14-13(11-24-19-14)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,18,21)(H,22,23)
InChIKeyARSPHTDTYYIPTG-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.85
Rot. Bonds5

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

tert-butyl-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamic acid (PubChem CID 70365205) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is tert-butyl-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamic acid
PubChem CID70365205
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Nametert-butyl-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamic acid
SMILESCC(C)(C)N(CCNC(=O)c1nocc1-c1ccccc1)C(=O)O
InChIInChI=1S/C17H21N3O4/c1-17(2,3)20(16(22)23)10-9-18-15(21)14-13(11-24-19-14)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,18,21)(H,22,23)
InChIKeyARSPHTDTYYIPTG-UHFFFAOYSA-N
XLogP2.85
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-amino-4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl-tert-butylcarbamic acid
CID 70365240
N-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate
CID 19768618
tert-butyl-[2-[[4-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]ethyl]carbamic acid
CID 70365466
tert-butyl-[2-[[5-(3-chlorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamic acid
CID 70365322
N-[5-(diaminomethylideneamino)pentyl]-4-phenyl-1,2-oxazole-3-carboxamide
CID 171108414
tert-butyl-[2-[[4-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]amino]ethyl]carbamic acid
CID 70365269
tert-butyl-[2-[[5-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethyl]carbamic acid
CID 70365247
2-[[4-(3-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]ethylcarbamic acid
CID 19768597
N-(2-hydroxyethyl)-4-(3-phenyl-1,2-oxazol-4-yl)benzamide
CID 58833396
N-[2-(dimethylamino)ethyl]-3-phenylpyridine-4-carboxamide
CID 91804668
N-[2-[acetyl(tert-butyl)amino]ethyl]-2-phenylacetamide
CID 113056581
2-(1,3-benzothiazol-2-ylamino)ethyl-tert-butylcarbamic acid
CID 87530986

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamic acid?
The IUPAC name of tert-butyl-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamic acid (CID 70365205) is tert-butyl-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamic acid?
The canonical SMILES for tert-butyl-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamic acid is CC(C)(C)N(CCNC(=O)c1nocc1-c1ccccc1)C(=O)O.
What is the InChIKey of tert-butyl-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamic acid?
The InChIKey is ARSPHTDTYYIPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-17(2,3)20(16(22)23)10-9-18-15(21)14-13(11-24-19-14)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,18,21)(H,22,23).
What are the key properties of tert-butyl-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamic acid?
tert-butyl-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamic acid has a molecular weight of 331.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamic acid is sourced from PubChem (CID 70365205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).