2-methylpropyl N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate

C18H23N3O4 — CID 131991833

IUPAC2-methylpropyl N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate
SMILESCC(C)COC(=O)NCCCNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C18H23N3O4/c1-13(2)12-24-18(23)20-10-6-9-19-17(22)15-11-16(25-21-15)14-7-4-3-5-8-14/h3-5,7-8,11,13H,6,9-10,12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyMXJZLRGCUYMVLJ-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.84
Rot. Bonds8

About 2-methylpropyl N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate

2-methylpropyl N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate (PubChem CID 131991833) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-methylpropyl N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate
PubChem CID131991833
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name2-methylpropyl N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate
SMILESCC(C)COC(=O)NCCCNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C18H23N3O4/c1-13(2)12-24-18(23)20-10-6-9-19-17(22)15-11-16(25-21-15)14-7-4-3-5-8-14/h3-5,7-8,11,13H,6,9-10,12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyMXJZLRGCUYMVLJ-UHFFFAOYSA-N
XLogP2.84
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(chloroamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118906505
5-phenyl-N-[3-[(4-phenylpyridine-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide
CID 118877021
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 70777871
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
5-phenyl-N-[2-(2,2,4-trimethylpentanoylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 131991756
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51103232
5-phenyl-N-[3-(pyridine-3-carbonylamino)propyl]-1,2-oxazole-3-carboxamide
CID 118877101
N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 65031495
N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 120827875
5-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide
CID 99600147
N-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 91954603

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate?
The IUPAC name of 2-methylpropyl N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate (CID 131991833) is 2-methylpropyl N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate is CC(C)COC(=O)NCCCNC(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of 2-methylpropyl N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate?
The InChIKey is MXJZLRGCUYMVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-13(2)12-24-18(23)20-10-6-9-19-17(22)15-11-16(25-21-15)14-7-4-3-5-8-14/h3-5,7-8,11,13H,6,9-10,12H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 2-methylpropyl N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate?
2-methylpropyl N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate has a molecular weight of 345.40 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propyl]carbamate is sourced from PubChem (CID 131991833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).