N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-(methoxymethyl)-N-methyl-1,3,4-oxadiazol-2-amine

C14H21N5O2 — CID 137341870

IUPACN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-(methoxymethyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCOCc1nnc(N(C)Cc2n[nH]c3c2CCCCC3)o1
InChIInChI=1S/C14H21N5O2/c1-19(14-18-17-13(21-14)9-20-2)8-12-10-6-4-3-5-7-11(10)15-16-12/h3-9H2,1-2H3,(H,15,16)
InChIKeyQKQLKOZPPKNHGZ-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.84
Rot. Bonds5

About N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-(methoxymethyl)-N-methyl-1,3,4-oxadiazol-2-amine

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-(methoxymethyl)-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 137341870) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-(methoxymethyl)-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-(methoxymethyl)-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID137341870
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-(methoxymethyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCOCc1nnc(N(C)Cc2n[nH]c3c2CCCCC3)o1
InChIInChI=1S/C14H21N5O2/c1-19(14-18-17-13(21-14)9-20-2)8-12-10-6-4-3-5-7-11(10)15-16-12/h3-9H2,1-2H3,(H,15,16)
InChIKeyQKQLKOZPPKNHGZ-UHFFFAOYSA-N
XLogP1.84
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-(methoxymethyl)-N-methyl-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

N-methyl-5-(pyridin-4-ylsulfanylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 137345430
3-(2,2-dimethylpropyl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole
CID 59453579
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(2-methoxypyrimidin-5-yl)-N-methylmethanamine
CID 131917395
1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl)-N-methyl-N-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 91828962
N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine
CID 3157469
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride
CID 154920827
3-[1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl(methyl)amino]-N,N-dimethylpropane-1-sulfonamide
CID 91842438
(2S)-2-(4-hydroxyphenyl)-2-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]acetic acid
CID 97207894
4,5,6,7-tetrahydro-1H-indazol-3-ylmethanamine
CID 3163200
N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 50968501
methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azanium
CID 7236612
3-(methoxymethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 169498684

Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-(methoxymethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-(methoxymethyl)-N-methyl-1,3,4-oxadiazol-2-amine (CID 137341870) is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-(methoxymethyl)-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-(methoxymethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-(methoxymethyl)-N-methyl-1,3,4-oxadiazol-2-amine is COCc1nnc(N(C)Cc2n[nH]c3c2CCCCC3)o1.
What is the InChIKey of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-(methoxymethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is QKQLKOZPPKNHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-19(14-18-17-13(21-14)9-20-2)8-12-10-6-4-3-5-7-11(10)15-16-12/h3-9H2,1-2H3,(H,15,16).
What are the key properties of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-(methoxymethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-(methoxymethyl)-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 291.36 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-5-(methoxymethyl)-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 137341870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).