N-(azetidin-3-yl)-2-methyl-1,3-oxazole-4-carboxamide

C8H11N3O2 — CID 121209353

IUPACN-(azetidin-3-yl)-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CNC2)co1
InChIInChI=1S/C8H11N3O2/c1-5-10-7(4-13-5)8(12)11-6-2-9-3-6/h4,6,9H,2-3H2,1H3,(H,11,12)
InChIKeyNZVJLLRQCXTMSO-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.32
Rot. Bonds2

About N-(azetidin-3-yl)-2-methyl-1,3-oxazole-4-carboxamide

N-(azetidin-3-yl)-2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 121209353) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-methyl-1,3-oxazole-4-carboxamide
PubChem CID121209353
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-(azetidin-3-yl)-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CNC2)co1
InChIInChI=1S/C8H11N3O2/c1-5-10-7(4-13-5)8(12)11-6-2-9-3-6/h4,6,9H,2-3H2,1H3,(H,11,12)
InChIKeyNZVJLLRQCXTMSO-UHFFFAOYSA-N
XLogP-0.32
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(3-phenylcyclobutyl)-1,3-oxazole-4-carboxamide
CID 138993563
N-(3-aminopropyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 121209358
N-[(3aR,7aS)-2-benzyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide
CID 138022360
N-(azetidin-3-yl)-2-methyltriazole-4-carboxamide
CID 126978139
N-[(1R,2R,3R)-3-(4-acetylpiperazin-1-yl)-2-hydroxycyclohexyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 110128161
N-cyclopropyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3864461
N-(azetidin-3-yl)-6-chloropyrazine-2-carboxamide;hydrochloride
CID 118279228
[4-(cyclopropylcarbamoyl)-1,3-oxazol-2-yl]carbamic acid
CID 138692159
N-(2,2-dimethoxyethyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 167255120
N-(3,5-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30464297
2-methyl-1,3-oxazole-4-carboxamide
CID 10796748
ethane;2-methyl-1,3-oxazole-4-carboxylic acid
CID 144678746

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-2-methyl-1,3-oxazole-4-carboxamide (CID 121209353) is N-(azetidin-3-yl)-2-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-2-methyl-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)NC2CNC2)co1.
What is the InChIKey of N-(azetidin-3-yl)-2-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is NZVJLLRQCXTMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-10-7(4-13-5)8(12)11-6-2-9-3-6/h4,6,9H,2-3H2,1H3,(H,11,12).
What are the key properties of N-(azetidin-3-yl)-2-methyl-1,3-oxazole-4-carboxamide?
N-(azetidin-3-yl)-2-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 181.19 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 121209353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).