N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylazetidine-1-carboxamide

C17H21N3O2 — CID 154743624

IUPACN-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylazetidine-1-carboxamide
SMILESCC(C)C1CCN1C(=O)NCc1cc(-c2ccccc2)on1
InChIInChI=1S/C17H21N3O2/c1-12(2)15-8-9-20(15)17(21)18-11-14-10-16(22-19-14)13-6-4-3-5-7-13/h3-7,10,12,15H,8-9,11H2,1-2H3,(H,18,21)
InChIKeyAMSSDEFTPNZUJZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.28
Rot. Bonds4

About N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylazetidine-1-carboxamide

N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylazetidine-1-carboxamide (PubChem CID 154743624) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylazetidine-1-carboxamide
PubChem CID154743624
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylazetidine-1-carboxamide
SMILESCC(C)C1CCN1C(=O)NCc1cc(-c2ccccc2)on1
InChIInChI=1S/C17H21N3O2/c1-12(2)15-8-9-20(15)17(21)18-11-14-10-16(22-19-14)13-6-4-3-5-7-13/h3-7,10,12,15H,8-9,11H2,1-2H3,(H,18,21)
InChIKeyAMSSDEFTPNZUJZ-UHFFFAOYSA-N
XLogP3.28
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122000164
cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 95150035
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866545
1-(4-hydroxy-3-methylbutan-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 111455140
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide
CID 16866467
5-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 134127778
(2S)-2-[[(1S)-1-carboxy-2-(5-phenyl-1,2-oxazol-3-yl)ethyl]amino]-4-methylpentanoic acid
CID 58632916
N-butan-2-yl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878276
1-(1-hydroxybutan-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 110923403
N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
CID 16867478
2-phenoxy-N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867528
1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 106837511

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylazetidine-1-carboxamide?
The IUPAC name of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylazetidine-1-carboxamide (CID 154743624) is N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylazetidine-1-carboxamide.
What is the SMILES notation for N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylazetidine-1-carboxamide?
The canonical SMILES for N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylazetidine-1-carboxamide is CC(C)C1CCN1C(=O)NCc1cc(-c2ccccc2)on1.
What is the InChIKey of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylazetidine-1-carboxamide?
The InChIKey is AMSSDEFTPNZUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(2)15-8-9-20(15)17(21)18-11-14-10-16(22-19-14)13-6-4-3-5-7-13/h3-7,10,12,15H,8-9,11H2,1-2H3,(H,18,21).
What are the key properties of N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylazetidine-1-carboxamide?
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylazetidine-1-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylazetidine-1-carboxamide is sourced from PubChem (CID 154743624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).