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

C17H20N4O — CID 95759596

IUPAC(2S,3S)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
SMILESC[C@H](NCc1ncc(-c2ccccc2)o1)[C@H](C)n1cccn1
InChIInChI=1S/C17H20N4O/c1-13(14(2)21-10-6-9-20-21)18-12-17-19-11-16(22-17)15-7-4-3-5-8-15/h3-11,13-14,18H,12H2,1-2H3/t13-,14-/m0/s1
InChIKeyRTWAXXSUISEMNW-KBPBESRZSA-N
MW296.37 g/mol
LogP3.28
Rot. Bonds6

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

(2S,3S)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine (PubChem CID 95759596) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is (2S,3S)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine.

Molecular Properties

Compound Name(2S,3S)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
PubChem CID95759596
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name(2S,3S)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
SMILESC[C@H](NCc1ncc(-c2ccccc2)o1)[C@H](C)n1cccn1
InChIInChI=1S/C17H20N4O/c1-13(14(2)21-10-6-9-20-21)18-12-17-19-11-16(22-17)15-7-4-3-5-8-15/h3-11,13-14,18H,12H2,1-2H3/t13-,14-/m0/s1
InChIKeyRTWAXXSUISEMNW-KBPBESRZSA-N
XLogP3.28
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95351926
(2S,3R)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95348592
(2S,3R)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95281606
(2R,3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276405
(2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine
CID 95274019
(2S,3R)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95347651
(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,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95274249
(2R,3S)-N-[(5-chlorofuran-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276291
(2R,3S)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95286014
(2R,3R)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276955

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
The IUPAC name of (2S,3S)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine (CID 95759596) is (2S,3S)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine.
What is the SMILES notation for (2S,3S)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
The canonical SMILES for (2S,3S)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine is C[C@H](NCc1ncc(-c2ccccc2)o1)[C@H](C)n1cccn1.
What is the InChIKey of (2S,3S)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
The InChIKey is RTWAXXSUISEMNW-KBPBESRZSA-N. The full InChI is InChI=1S/C17H20N4O/c1-13(14(2)21-10-6-9-20-21)18-12-17-19-11-16(22-17)15-7-4-3-5-8-15/h3-11,13-14,18H,12H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (2S,3S)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
(2S,3S)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine has a molecular weight of 296.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine is sourced from PubChem (CID 95759596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).