N-[4-(furan-2-yl)butan-2-yl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine

C12H18N4O2 — CID 106959609

IUPACN-[4-(furan-2-yl)butan-2-yl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NC(C)CCc2ccco2)o1
InChIInChI=1S/C12H18N4O2/c1-9(5-6-10-4-3-7-17-10)14-12-16-15-11(18-12)8-13-2/h3-4,7,9,13H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyPCBCMORBKHSQEZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.82
Rot. Bonds7

About N-[4-(furan-2-yl)butan-2-yl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine

N-[4-(furan-2-yl)butan-2-yl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106959609) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106959609
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(NC(C)CCc2ccco2)o1
InChIInChI=1S/C12H18N4O2/c1-9(5-6-10-4-3-7-17-10)14-12-16-15-11(18-12)8-13-2/h3-4,7,9,13H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyPCBCMORBKHSQEZ-UHFFFAOYSA-N
XLogP1.82
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylaminomethyl)-N-[4-(furan-2-yl)butan-2-yl]-1,3,4-oxadiazol-2-amine
CID 106959619
5-(chloromethyl)-N-[1-(furan-2-yl)propan-2-yl]-1,3,4-oxadiazol-2-amine
CID 106956954
N-[4-(furan-2-yl)butan-2-yl]-1,3-benzoxazol-2-amine
CID 60715726
N-[4-(furan-2-yl)butan-2-yl]pyridazin-3-amine
CID 62482242
4-ethyl-N-[4-(furan-2-yl)butan-2-yl]-1,3-thiazol-2-amine
CID 62961372
6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804357
5-(methylaminomethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 137343503
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
N-(6-methylheptan-2-yl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106959871
4-(furan-2-yl)-N-(2-methoxyethoxy)butan-2-amine
CID 82714632
N-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62860172
N-[4-(furan-2-yl)butan-2-yl]acridin-9-amine
CID 4516381

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106959609) is N-[4-(furan-2-yl)butan-2-yl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine is CNCc1nnc(NC(C)CCc2ccco2)o1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is PCBCMORBKHSQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9(5-6-10-4-3-7-17-10)14-12-16-15-11(18-12)8-13-2/h3-4,7,9,13H,5-6,8H2,1-2H3,(H,14,16).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-[4-(furan-2-yl)butan-2-yl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 250.30 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106959609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).