[2-(methylamino)-2-oxoethyl] N-[3-[3-(4-phenylphenyl)-1,2-oxazol-5-yl]propyl]carbamate

C22H23N3O4 — CID 67396206

IUPAC[2-(methylamino)-2-oxoethyl] N-[3-[3-(4-phenylphenyl)-1,2-oxazol-5-yl]propyl]carbamate
SMILESCNC(=O)COC(=O)NCCCc1cc(-c2ccc(-c3ccccc3)cc2)no1
InChIInChI=1S/C22H23N3O4/c1-23-21(26)15-28-22(27)24-13-5-8-19-14-20(25-29-19)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-4,6-7,9-12,14H,5,8,13,15H2,1H3,(H,23,26)(H,24,27)
InChIKeyOAMRBRQVXLKYHK-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.41
Rot. Bonds8

About [2-(methylamino)-2-oxoethyl] N-[3-[3-(4-phenylphenyl)-1,2-oxazol-5-yl]propyl]carbamate

[2-(methylamino)-2-oxoethyl] N-[3-[3-(4-phenylphenyl)-1,2-oxazol-5-yl]propyl]carbamate (PubChem CID 67396206) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] N-[3-[3-(4-phenylphenyl)-1,2-oxazol-5-yl]propyl]carbamate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] N-[3-[3-(4-phenylphenyl)-1,2-oxazol-5-yl]propyl]carbamate
PubChem CID67396206
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name[2-(methylamino)-2-oxoethyl] N-[3-[3-(4-phenylphenyl)-1,2-oxazol-5-yl]propyl]carbamate
SMILESCNC(=O)COC(=O)NCCCc1cc(-c2ccc(-c3ccccc3)cc2)no1
InChIInChI=1S/C22H23N3O4/c1-23-21(26)15-28-22(27)24-13-5-8-19-14-20(25-29-19)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-4,6-7,9-12,14H,5,8,13,15H2,1H3,(H,23,26)(H,24,27)
InChIKeyOAMRBRQVXLKYHK-UHFFFAOYSA-N
XLogP3.41
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.41
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

[2-(methylamino)-2-oxoethyl] N-[4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]butyl]carbamate
CID 67396874
4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid
CID 102036434
4-amino-3-[[3-carboxy-2-[3-[3-(4-phenylphenyl)-1,2-oxazol-5-yl]propanoylamino]propanoyl]amino]-4-oxobutanoic acid
CID 71075434
5-hexyl-3-phenyl-1,2-oxazole
CID 15445646
4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid
CID 119135167
ethyl 3-oxo-4-(3-phenyl-1,2-oxazol-5-yl)butanoate
CID 58032908
(3-phenyl-1,2-oxazol-5-yl)methyl cyclopenta-1,3-diene-1-carboxylate
CID 130348153
1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide
CID 119758810
N-methyl-2-(4-methylpyrazol-1-yl)-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]acetamide
CID 51106001
ethyl 2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]propanoate
CID 59667385
4-ethoxy-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]butanamide
CID 51106000
[2-oxo-2-[3-[4-[4-[4-(phenylmethoxycarbonylamino)butyl]phenyl]phenyl]propylamino]ethyl] acetate
CID 177101921

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] N-[3-[3-(4-phenylphenyl)-1,2-oxazol-5-yl]propyl]carbamate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] N-[3-[3-(4-phenylphenyl)-1,2-oxazol-5-yl]propyl]carbamate (CID 67396206) is [2-(methylamino)-2-oxoethyl] N-[3-[3-(4-phenylphenyl)-1,2-oxazol-5-yl]propyl]carbamate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] N-[3-[3-(4-phenylphenyl)-1,2-oxazol-5-yl]propyl]carbamate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] N-[3-[3-(4-phenylphenyl)-1,2-oxazol-5-yl]propyl]carbamate is CNC(=O)COC(=O)NCCCc1cc(-c2ccc(-c3ccccc3)cc2)no1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] N-[3-[3-(4-phenylphenyl)-1,2-oxazol-5-yl]propyl]carbamate?
The InChIKey is OAMRBRQVXLKYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-23-21(26)15-28-22(27)24-13-5-8-19-14-20(25-29-19)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-4,6-7,9-12,14H,5,8,13,15H2,1H3,(H,23,26)(H,24,27).
What are the key properties of [2-(methylamino)-2-oxoethyl] N-[3-[3-(4-phenylphenyl)-1,2-oxazol-5-yl]propyl]carbamate?
[2-(methylamino)-2-oxoethyl] N-[3-[3-(4-phenylphenyl)-1,2-oxazol-5-yl]propyl]carbamate has a molecular weight of 393.44 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] N-[3-[3-(4-phenylphenyl)-1,2-oxazol-5-yl]propyl]carbamate is sourced from PubChem (CID 67396206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).