1-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclopropane-1-carboxamide

C8H12N4O2 — CID 106396843

IUPAC1-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)NCc2ncon2)CC1
InChIInChI=1S/C8H12N4O2/c9-4-8(1-2-8)7(13)10-3-6-11-5-14-12-6/h5H,1-4,9H2,(H,10,13)
InChIKeyKQPRQWLJRBLCRY-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.58
Rot. Bonds4

About 1-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 106396843) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclopropane-1-carboxamide
PubChem CID106396843
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name1-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)NCc2ncon2)CC1
InChIInChI=1S/C8H12N4O2/c9-4-8(1-2-8)7(13)10-3-6-11-5-14-12-6/h5H,1-4,9H2,(H,10,13)
InChIKeyKQPRQWLJRBLCRY-UHFFFAOYSA-N
XLogP-0.58
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 106397615
4-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]oxane-4-carboxamide
CID 114183639
1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 106406108
N-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpyrrolidine-3-carboxamide
CID 106396912
1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutane-1-carboxamide
CID 106398598
4-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide
CID 106405899
N-(1,2,4-oxadiazol-3-ylmethyl)-4-phenylpiperidine-4-carboxamide
CID 106396970
N-(1,2,4-oxadiazol-3-ylmethyl)-3-oxobutanamide
CID 106398468
1-(aminomethyl)-N-(1,2-oxazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 106416951
1-benzyl-3-(1,2,4-oxadiazol-3-ylmethyl)urea
CID 103670811
3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106395491
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80587002

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclopropane-1-carboxamide (CID 106396843) is 1-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclopropane-1-carboxamide is NCC1(C(=O)NCc2ncon2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is KQPRQWLJRBLCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c9-4-8(1-2-8)7(13)10-3-6-11-5-14-12-6/h5H,1-4,9H2,(H,10,13).
What are the key properties of 1-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 196.21 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 106396843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).