N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide

C14H22N4O2 — CID 122568554

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide
SMILESO=C(NCc1noc(C2CC2)n1)N1CCCCCCC1
InChIInChI=1S/C14H22N4O2/c19-14(18-8-4-2-1-3-5-9-18)15-10-12-16-13(20-17-12)11-6-7-11/h11H,1-10H2,(H,15,19)
InChIKeyIGTVCGJWPISDSH-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.42
Rot. Bonds3

About N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide (PubChem CID 122568554) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide
PubChem CID122568554
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide
SMILESO=C(NCc1noc(C2CC2)n1)N1CCCCCCC1
InChIInChI=1S/C14H22N4O2/c19-14(18-8-4-2-1-3-5-9-18)15-10-12-16-13(20-17-12)11-6-7-11/h11H,1-10H2,(H,15,19)
InChIKeyIGTVCGJWPISDSH-UHFFFAOYSA-N
XLogP2.42
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 164636201
(2R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-fluorophenyl)piperidine-1-carboxamide
CID 125447060
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide
CID 72899381
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
CID 91765118
2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-pyrrolidin-1-ylethanone
CID 127623329
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]but-3-enyl acetate
CID 167974510
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62342162
(4R)-4-(dimethylamino)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]azepane-1-carboxamide
CID 126443974
(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
CID 125438766
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 131949110
(3S)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-ethylpyrrolidine-1-carboxamide
CID 164640738
(3R)-3-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 97193869

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide (CID 122568554) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide is O=C(NCc1noc(C2CC2)n1)N1CCCCCCC1.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide?
The InChIKey is IGTVCGJWPISDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-14(18-8-4-2-1-3-5-9-18)15-10-12-16-13(20-17-12)11-6-7-11/h11H,1-10H2,(H,15,19).
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide is sourced from PubChem (CID 122568554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).