trans-(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine

C17H30N2O — CID 56774077

IUPACtrans-(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine
SMILESCCCCc1cc(C[C@@H]2C[C@H](NC(C)C)C2(C)C)no1
InChIInChI=1S/C17H30N2O/c1-6-7-8-15-11-14(19-20-15)9-13-10-16(17(13,4)5)18-12(2)3/h11-13,16,18H,6-10H2,1-5H3/t13-,16+/m1/s1
InChIKeyQTVGVRFJKGNCGA-CJNGLKHVSA-N
MW278.44 g/mol
LogP3.97
Rot. Bonds7

About trans-(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine

trans-(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine (PubChem CID 56774077) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is trans-(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine
PubChem CID56774077
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Nametrans-(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine
SMILESCCCCc1cc(C[C@@H]2C[C@H](NC(C)C)C2(C)C)no1
InChIInChI=1S/C17H30N2O/c1-6-7-8-15-11-14(19-20-15)9-13-10-16(17(13,4)5)18-12(2)3/h11-13,16,18H,6-10H2,1-5H3/t13-,16+/m1/s1
InChIKeyQTVGVRFJKGNCGA-CJNGLKHVSA-N
XLogP3.97
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine?
The IUPAC name of trans-(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine (CID 56774077) is trans-(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for trans-(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for trans-(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine is CCCCc1cc(C[C@@H]2C[C@H](NC(C)C)C2(C)C)no1.
What is the InChIKey of trans-(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine?
The InChIKey is QTVGVRFJKGNCGA-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H30N2O/c1-6-7-8-15-11-14(19-20-15)9-13-10-16(17(13,4)5)18-12(2)3/h11-13,16,18H,6-10H2,1-5H3/t13-,16+/m1/s1.
What are the key properties of trans-(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine?
trans-(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethyl-N-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 56774077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).