(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid

C9H8N4O3 — CID 69190964

IUPAC(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid
SMILESO=C(O)NCc1nc(-c2ccncc2)no1
InChIInChI=1S/C9H8N4O3/c14-9(15)11-5-7-12-8(13-16-7)6-1-3-10-4-2-6/h1-4,11H,5H2,(H,14,15)
InChIKeyZTKIKAJSPLMGPO-UHFFFAOYSA-N
MW220.19 g/mol
LogP0.90
Rot. Bonds3

About (3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid

(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid (PubChem CID 69190964) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is (3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid.

Molecular Properties

Compound Name(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid
PubChem CID69190964
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid
SMILESO=C(O)NCc1nc(-c2ccncc2)no1
InChIInChI=1S/C9H8N4O3/c14-9(15)11-5-7-12-8(13-16-7)6-1-3-10-4-2-6/h1-4,11H,5H2,(H,14,15)
InChIKeyZTKIKAJSPLMGPO-UHFFFAOYSA-N
XLogP0.90
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 56770463
cis-(1S,3R)-2,2-dimethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 95859031
N-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
CID 75530724
4-methylsulfanyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 78839044
(2R)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119840711
3-(2,4-dimethylphenyl)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 134043007
4-[5-[(pyridin-4-ylmethylamino)methyl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 56751844
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 37134678
6-(dimethylamino)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
CID 78861696
2-[4-(difluoromethoxy)phenyl]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 134042975
1-cyclopropyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 43655500
N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 119840708

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid?
The IUPAC name of (3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid (CID 69190964) is (3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid.
What is the SMILES notation for (3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid?
The canonical SMILES for (3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid is O=C(O)NCc1nc(-c2ccncc2)no1.
What is the InChIKey of (3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid?
The InChIKey is ZTKIKAJSPLMGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c14-9(15)11-5-7-12-8(13-16-7)6-1-3-10-4-2-6/h1-4,11H,5H2,(H,14,15).
What are the key properties of (3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid?
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid has a molecular weight of 220.19 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid is sourced from PubChem (CID 69190964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).