3-[4-ethyl-5-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine

C17H28N6O — CID 91791098

IUPAC3-[4-ethyl-5-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCn1c(CN(C)Cc2cc(C(C)C)on2)nnc1C1CC(N)C1
InChIInChI=1S/C17H28N6O/c1-5-23-16(19-20-17(23)12-6-13(18)7-12)10-22(4)9-14-8-15(11(2)3)24-21-14/h8,11-13H,5-7,9-10,18H2,1-4H3
InChIKeyRWRNDYCKEBRUBC-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.25
Rot. Bonds7

About 3-[4-ethyl-5-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine

3-[4-ethyl-5-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91791098) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-[4-ethyl-5-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-ethyl-5-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91791098
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC Name3-[4-ethyl-5-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCCn1c(CN(C)Cc2cc(C(C)C)on2)nnc1C1CC(N)C1
InChIInChI=1S/C17H28N6O/c1-5-23-16(19-20-17(23)12-6-13(18)7-12)10-22(4)9-14-8-15(11(2)3)24-21-14/h8,11-13H,5-7,9-10,18H2,1-4H3
InChIKeyRWRNDYCKEBRUBC-UHFFFAOYSA-N
XLogP2.25
TPSA86.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-ethyl-5-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[4-ethyl-5-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91797860
3-[4-ethyl-5-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91784287
3-[5-[[(2,4-dichlorophenyl)methyl-methylamino]methyl]-4-ethyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91777122
2-[[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136662235
N,N-dimethyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine
CID 126550901
3-[4-ethyl-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91781413
3-[4-ethyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91780106
3-[4-methyl-5-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91798054
N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-(1,2,2-trimethylpyrrolidin-3-yl)methanamine
CID 131949485
3-[5-(aminomethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91790687
[4-methyl-5-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol
CID 91834200
3-[4-methyl-5-[[methyl-[(3-phenyl-1H-pyrazol-5-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91777665

Frequently Asked Questions

What is the IUPAC name of 3-[4-ethyl-5-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[4-ethyl-5-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91791098) is 3-[4-ethyl-5-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-ethyl-5-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[4-ethyl-5-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is CCn1c(CN(C)Cc2cc(C(C)C)on2)nnc1C1CC(N)C1.
What is the InChIKey of 3-[4-ethyl-5-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is RWRNDYCKEBRUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O/c1-5-23-16(19-20-17(23)12-6-13(18)7-12)10-22(4)9-14-8-15(11(2)3)24-21-14/h8,11-13H,5-7,9-10,18H2,1-4H3.
What are the key properties of 3-[4-ethyl-5-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[4-ethyl-5-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 332.45 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethyl-5-[[methyl-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91791098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).