2-[5-[2-(dimethylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]ethylcarbamic acid

C10H18N4O3 — CID 68754902

IUPAC2-[5-[2-(dimethylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]ethylcarbamic acid
SMILESCN(C)C(C)(C)c1nc(CCNC(=O)O)no1
InChIInChI=1S/C10H18N4O3/c1-10(2,14(3)4)8-12-7(13-17-8)5-6-11-9(15)16/h11H,5-6H2,1-4H3,(H,15,16)
InChIKeyNPCISYHLGXAEBC-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.68
Rot. Bonds5

About 2-[5-[2-(dimethylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]ethylcarbamic acid

2-[5-[2-(dimethylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]ethylcarbamic acid (PubChem CID 68754902) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[5-[2-(dimethylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[5-[2-(dimethylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]ethylcarbamic acid
PubChem CID68754902
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name2-[5-[2-(dimethylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]ethylcarbamic acid
SMILESCN(C)C(C)(C)c1nc(CCNC(=O)O)no1
InChIInChI=1S/C10H18N4O3/c1-10(2,14(3)4)8-12-7(13-17-8)5-6-11-9(15)16/h11H,5-6H2,1-4H3,(H,15,16)
InChIKeyNPCISYHLGXAEBC-UHFFFAOYSA-N
XLogP0.68
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-ethylbutanamide
CID 110294284
2-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpropan-2-amine
CID 123866100
tert-butyl N-[2-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate
CID 70853467
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103943037
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide
CID 110294288
2,2,3-trimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 106420330
2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106415961
2-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 106416217
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbenzamide
CID 110294289
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110632729
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-chlorobenzamide
CID 110294332
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 110311138

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(dimethylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]ethylcarbamic acid?
The IUPAC name of 2-[5-[2-(dimethylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]ethylcarbamic acid (CID 68754902) is 2-[5-[2-(dimethylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[5-[2-(dimethylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]ethylcarbamic acid?
The canonical SMILES for 2-[5-[2-(dimethylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]ethylcarbamic acid is CN(C)C(C)(C)c1nc(CCNC(=O)O)no1.
What is the InChIKey of 2-[5-[2-(dimethylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]ethylcarbamic acid?
The InChIKey is NPCISYHLGXAEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-10(2,14(3)4)8-12-7(13-17-8)5-6-11-9(15)16/h11H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 2-[5-[2-(dimethylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]ethylcarbamic acid?
2-[5-[2-(dimethylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]ethylcarbamic acid has a molecular weight of 242.28 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(dimethylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]ethylcarbamic acid is sourced from PubChem (CID 68754902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).