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

C14H21N5O — CID 95302392

IUPAC(2S,3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
SMILESCc1cnn([C@H](C)[C@H](C)NCc2noc(C3CC3)n2)c1
InChIInChI=1S/C14H21N5O/c1-9-6-16-19(8-9)11(3)10(2)15-7-13-17-14(20-18-13)12-4-5-12/h6,8,10-12,15H,4-5,7H2,1-3H3/t10-,11+/m0/s1
InChIKeyKECLYKOBOXCPBX-WDEREUQCSA-N
MW275.36 g/mol
LogP2.19
Rot. Bonds6

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

(2S,3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine (PubChem CID 95302392) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (2S,3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine.

Molecular Properties

Compound Name(2S,3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
PubChem CID95302392
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(2S,3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
SMILESCc1cnn([C@H](C)[C@H](C)NCc2noc(C3CC3)n2)c1
InChIInChI=1S/C14H21N5O/c1-9-6-16-19(8-9)11(3)10(2)15-7-13-17-14(20-18-13)12-4-5-12/h6,8,10-12,15H,4-5,7H2,1-3H3/t10-,11+/m0/s1
InChIKeyKECLYKOBOXCPBX-WDEREUQCSA-N
XLogP2.19
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95291225
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
CID 62343969
(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(pyridin-4-ylmethyl)butan-2-amine
CID 95286279
(2S,3R)-3-(4-methylpyrazol-1-yl)-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]butan-2-amine
CID 95311175
(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 95291194
N-cyclopropyl-4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide
CID 95288528
(2S,3R)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95287674
(2S,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine
CID 95613953
(2R,3S)-3-(4-methylpyrazol-1-yl)-N-(2-propan-2-yloxyethyl)butan-2-amine
CID 95285990
(2S,3S)-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95287856
(2R,3S)-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95287854
(2R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 95197767

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine?
The IUPAC name of (2S,3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine (CID 95302392) is (2S,3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine.
What is the SMILES notation for (2S,3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine?
The canonical SMILES for (2S,3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine is Cc1cnn([C@H](C)[C@H](C)NCc2noc(C3CC3)n2)c1.
What is the InChIKey of (2S,3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine?
The InChIKey is KECLYKOBOXCPBX-WDEREUQCSA-N. The full InChI is InChI=1S/C14H21N5O/c1-9-6-16-19(8-9)11(3)10(2)15-7-13-17-14(20-18-13)12-4-5-12/h6,8,10-12,15H,4-5,7H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of (2S,3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine?
(2S,3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine has a molecular weight of 275.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine is sourced from PubChem (CID 95302392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).