5-oxo-N-propan-2-yl-4H-1,2,4-oxadiazole-3-carboxamide

C6H9N3O3 — CID 137225636

IUPAC5-oxo-N-propan-2-yl-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)NC(=O)c1noc(=O)[nH]1
InChIInChI=1S/C6H9N3O3/c1-3(2)7-5(10)4-8-6(11)12-9-4/h3H,1-2H3,(H,7,10)(H,8,9,11)
InChIKeyOQLBXBDQIYTTSU-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.50
Rot. Bonds2

About 5-oxo-N-propan-2-yl-4H-1,2,4-oxadiazole-3-carboxamide

5-oxo-N-propan-2-yl-4H-1,2,4-oxadiazole-3-carboxamide (PubChem CID 137225636) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 5-oxo-N-propan-2-yl-4H-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-propan-2-yl-4H-1,2,4-oxadiazole-3-carboxamide
PubChem CID137225636
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name5-oxo-N-propan-2-yl-4H-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)NC(=O)c1noc(=O)[nH]1
InChIInChI=1S/C6H9N3O3/c1-3(2)7-5(10)4-8-6(11)12-9-4/h3H,1-2H3,(H,7,10)(H,8,9,11)
InChIKeyOQLBXBDQIYTTSU-UHFFFAOYSA-N
XLogP-0.50
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(propan-2-ylamino)methyl]-4H-1,2,4-oxadiazol-5-one
CID 136197517
N-ethyl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137232774
5-oxo-N-undecan-6-yl-4H-1,2,4-oxadiazole-3-carboxamide
CID 167057725
N-nonan-2-yl-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 167062705
5-oxo-N-propan-2-yl-1,4-dihydroimidazole-2-carboxamide
CID 167062710
(Z)-2-Amino-2-(hydroxyimino)-N-isopropylacetamide
CID 50906522
5-Oxo-4-propan-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 124704699
N-ethyl-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 130685667
N-(2-methylcyclopropyl)-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137181222
(2R)-2-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride
CID 137184744
(2R)-2-amino-N-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 137184745
N-[(1R)-1-cyanoethyl]-5-oxo-4H-1,2,4-oxadiazole-3-carboxamide
CID 137211684

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-propan-2-yl-4H-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-oxo-N-propan-2-yl-4H-1,2,4-oxadiazole-3-carboxamide (CID 137225636) is 5-oxo-N-propan-2-yl-4H-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-oxo-N-propan-2-yl-4H-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-oxo-N-propan-2-yl-4H-1,2,4-oxadiazole-3-carboxamide is CC(C)NC(=O)c1noc(=O)[nH]1.
What is the InChIKey of 5-oxo-N-propan-2-yl-4H-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is OQLBXBDQIYTTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-3(2)7-5(10)4-8-6(11)12-9-4/h3H,1-2H3,(H,7,10)(H,8,9,11).
What are the key properties of 5-oxo-N-propan-2-yl-4H-1,2,4-oxadiazole-3-carboxamide?
5-oxo-N-propan-2-yl-4H-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 171.16 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-propan-2-yl-4H-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 137225636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).