N-(1,2-oxazol-3-ylmethyl)azetidine-1-carboxamide

C8H11N3O2 — CID 131176570

IUPACN-(1,2-oxazol-3-ylmethyl)azetidine-1-carboxamide
SMILESO=C(NCc1ccon1)N1CCC1
InChIInChI=1S/C8H11N3O2/c12-8(11-3-1-4-11)9-6-7-2-5-13-10-7/h2,5H,1,3-4,6H2,(H,9,12)
InChIKeyRUFZTOXVVODBHZ-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.59
Rot. Bonds2

About N-(1,2-oxazol-3-ylmethyl)azetidine-1-carboxamide

N-(1,2-oxazol-3-ylmethyl)azetidine-1-carboxamide (PubChem CID 131176570) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)azetidine-1-carboxamide
PubChem CID131176570
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-(1,2-oxazol-3-ylmethyl)azetidine-1-carboxamide
SMILESO=C(NCc1ccon1)N1CCC1
InChIInChI=1S/C8H11N3O2/c12-8(11-3-1-4-11)9-6-7-2-5-13-10-7/h2,5H,1,3-4,6H2,(H,9,12)
InChIKeyRUFZTOXVVODBHZ-UHFFFAOYSA-N
XLogP0.59
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(1,2-oxazol-3-ylmethyl)-1,4-oxazepane-4-carboxamide
CID 119064727
3-[1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidin-4-yl]propanoic acid
CID 81177584
1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-2-carboxylic acid
CID 81178491
N-(1,2-oxazol-3-ylmethyl)-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide
CID 126436027
(2S)-2-(2-methylpyrazol-3-yl)-N-(1,2-oxazol-3-ylmethyl)morpholine-4-carboxamide
CID 164640734
2-ethyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83070554
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71990274
2-(2-methylpropyl)-N-(1,2-oxazol-3-ylmethyl)piperidine-1-carboxamide
CID 75379218
1-amino-3-(1,2-oxazol-3-ylmethyl)urea
CID 81177768
2-methyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 106744445
2-(1,4-diazepan-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81171334
N-(1,2-oxazol-3-ylmethyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 81173501

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)azetidine-1-carboxamide?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)azetidine-1-carboxamide (CID 131176570) is N-(1,2-oxazol-3-ylmethyl)azetidine-1-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)azetidine-1-carboxamide?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)azetidine-1-carboxamide is O=C(NCc1ccon1)N1CCC1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)azetidine-1-carboxamide?
The InChIKey is RUFZTOXVVODBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-8(11-3-1-4-11)9-6-7-2-5-13-10-7/h2,5H,1,3-4,6H2,(H,9,12).
What are the key properties of N-(1,2-oxazol-3-ylmethyl)azetidine-1-carboxamide?
N-(1,2-oxazol-3-ylmethyl)azetidine-1-carboxamide has a molecular weight of 181.19 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)azetidine-1-carboxamide is sourced from PubChem (CID 131176570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).