(2R,3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine

C14H22N4O — CID 95291817

IUPAC(2R,3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
SMILESCc1cnn([C@@H](C)[C@@H](C)NCc2c(C)noc2C)c1
InChIInChI=1S/C14H22N4O/c1-9-6-16-18(8-9)12(4)10(2)15-7-14-11(3)17-19-13(14)5/h6,8,10,12,15H,7H2,1-5H3/t10-,12+/m1/s1
InChIKeyYFXMUPUDFJRLFP-PWSUYJOCSA-N
MW262.36 g/mol
LogP2.54
Rot. Bonds5

About (2R,3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine

(2R,3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine (PubChem CID 95291817) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (2R,3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine.

Molecular Properties

Compound Name(2R,3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
PubChem CID95291817
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(2R,3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
SMILESCc1cnn([C@@H](C)[C@@H](C)NCc2c(C)noc2C)c1
InChIInChI=1S/C14H22N4O/c1-9-6-16-18(8-9)12(4)10(2)15-7-14-11(3)17-19-13(14)5/h6,8,10,12,15H,7H2,1-5H3/t10-,12+/m1/s1
InChIKeyYFXMUPUDFJRLFP-PWSUYJOCSA-N
XLogP2.54
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95291818
(2R,3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276363
(2S,3R)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95287674
(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)butan-2-amine
CID 95286279
(2S,3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylpentan-2-amine
CID 97054312
(2S,3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95302392
(2R,3S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95291225
(2S,3R)-3-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)butan-2-amine
CID 95304965
(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 95291194
4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide
CID 95287606
(2R,3S)-3-(4-methylpyrazol-1-yl)-N-(2-propan-2-yloxyethyl)butan-2-amine
CID 95285990
(2R,3R)-N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95759659

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine?
The IUPAC name of (2R,3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine (CID 95291817) is (2R,3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine.
What is the SMILES notation for (2R,3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine?
The canonical SMILES for (2R,3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine is Cc1cnn([C@@H](C)[C@@H](C)NCc2c(C)noc2C)c1.
What is the InChIKey of (2R,3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine?
The InChIKey is YFXMUPUDFJRLFP-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H22N4O/c1-9-6-16-18(8-9)12(4)10(2)15-7-14-11(3)17-19-13(14)5/h6,8,10,12,15H,7H2,1-5H3/t10-,12+/m1/s1.
What are the key properties of (2R,3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine?
(2R,3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine has a molecular weight of 262.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine is sourced from PubChem (CID 95291817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).