(2S,3R)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine

C15H24N4O — CID 95348592

IUPAC(2S,3R)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
SMILESC[C@H](NCc1ncc(C(C)(C)C)o1)[C@@H](C)n1cccn1
InChIInChI=1S/C15H24N4O/c1-11(12(2)19-8-6-7-18-19)16-10-14-17-9-13(20-14)15(3,4)5/h6-9,11-12,16H,10H2,1-5H3/t11-,12+/m0/s1
InChIKeyXNOIGMKQNVQWFY-NWDGAFQWSA-N
MW276.38 g/mol
LogP2.91
Rot. Bonds5

About (2S,3R)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine

(2S,3R)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine (PubChem CID 95348592) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S,3R)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine.

Molecular Properties

Compound Name(2S,3R)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
PubChem CID95348592
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(2S,3R)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
SMILESC[C@H](NCc1ncc(C(C)(C)C)o1)[C@@H](C)n1cccn1
InChIInChI=1S/C15H24N4O/c1-11(12(2)19-8-6-7-18-19)16-10-14-17-9-13(20-14)15(3,4)5/h6-9,11-12,16H,10H2,1-5H3/t11-,12+/m0/s1
InChIKeyXNOIGMKQNVQWFY-NWDGAFQWSA-N
XLogP2.91
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3R)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine with MolForge

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Related Compounds

(2S,3S)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95759596
(2R,3S)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95286014
(2R,3S)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95351926
(2S,3R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95275074
(2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine
CID 95274019
(2S,3S)-3-pyrazol-1-yl-N-(pyridin-4-ylmethyl)butan-2-amine
CID 95277106
(2R,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95274249
(2S,3R)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95281606
(2S,3R)-3-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 95351937
(2R,3S)-3-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butan-2-amine
CID 95351940
(2R,3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276363
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111594530

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
The IUPAC name of (2S,3R)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine (CID 95348592) is (2S,3R)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine.
What is the SMILES notation for (2S,3R)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
The canonical SMILES for (2S,3R)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine is C[C@H](NCc1ncc(C(C)(C)C)o1)[C@@H](C)n1cccn1.
What is the InChIKey of (2S,3R)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
The InChIKey is XNOIGMKQNVQWFY-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(12(2)19-8-6-7-18-19)16-10-14-17-9-13(20-14)15(3,4)5/h6-9,11-12,16H,10H2,1-5H3/t11-,12+/m0/s1.
What are the key properties of (2S,3R)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
(2S,3R)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine has a molecular weight of 276.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine is sourced from PubChem (CID 95348592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).