5-[(tert-butylamino)methyl]-N-(1-cyclopropylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-amine

C14H25N5O — CID 106970928

IUPAC5-[(tert-butylamino)methyl]-N-(1-cyclopropylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)NCc1nnc(NC2CCN(C3CC3)C2)o1
InChIInChI=1S/C14H25N5O/c1-14(2,3)15-8-12-17-18-13(20-12)16-10-6-7-19(9-10)11-4-5-11/h10-11,15H,4-9H2,1-3H3,(H,16,18)
InChIKeyNZFUNRXNKLXZRN-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.61
Rot. Bonds5

About 5-[(tert-butylamino)methyl]-N-(1-cyclopropylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-amine

5-[(tert-butylamino)methyl]-N-(1-cyclopropylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106970928) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(1-cyclopropylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(1-cyclopropylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106970928
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name5-[(tert-butylamino)methyl]-N-(1-cyclopropylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)NCc1nnc(NC2CCN(C3CC3)C2)o1
InChIInChI=1S/C14H25N5O/c1-14(2,3)15-8-12-17-18-13(20-12)16-10-6-7-19(9-10)11-4-5-11/h10-11,15H,4-9H2,1-3H3,(H,16,18)
InChIKeyNZFUNRXNKLXZRN-UHFFFAOYSA-N
XLogP1.61
TPSA66.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(tert-butylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962282
5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
CID 106968921
5-[(tert-butylamino)methyl]-N-(3-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine
CID 106965461
5-[(tert-butylamino)methyl]-N-(thian-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106964745
5-[(tert-butylamino)methyl]-N-[(2-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106969824
3-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]piperidin-2-one
CID 106960470
5-[(tert-butylamino)methyl]-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3,4-oxadiazol-2-amine
CID 106960597
5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967641
1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]piperidin-3-ol
CID 106959479
N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968561
1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-methylpiperidin-4-ol
CID 106963185
N-[[5-(3-ethylpiperidin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 106969286

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(1-cyclopropylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(1-cyclopropylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-amine (CID 106970928) is 5-[(tert-butylamino)methyl]-N-(1-cyclopropylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(1-cyclopropylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(1-cyclopropylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-amine is CC(C)(C)NCc1nnc(NC2CCN(C3CC3)C2)o1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(1-cyclopropylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is NZFUNRXNKLXZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-14(2,3)15-8-12-17-18-13(20-12)16-10-6-7-19(9-10)11-4-5-11/h10-11,15H,4-9H2,1-3H3,(H,16,18).
What are the key properties of 5-[(tert-butylamino)methyl]-N-(1-cyclopropylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-(1-cyclopropylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 279.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-(1-cyclopropylpyrrolidin-3-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106970928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).