(2R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine

C16H25N5O — CID 95197767

IUPAC(2R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
SMILESCc1cc(C)n(C[C@@H](C)NCc2noc(C3CCCC3)n2)n1
InChIInChI=1S/C16H25N5O/c1-11-8-13(3)21(19-11)10-12(2)17-9-15-18-16(22-20-15)14-6-4-5-7-14/h8,12,14,17H,4-7,9-10H2,1-3H3/t12-/m1/s1
InChIKeyMHWMFBLQCRTCIJ-GFCCVEGCSA-N
MW303.41 g/mol
LogP2.72
Rot. Bonds6

About (2R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine

(2R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine (PubChem CID 95197767) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is (2R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
PubChem CID95197767
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name(2R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
SMILESCc1cc(C)n(C[C@@H](C)NCc2noc(C3CCCC3)n2)n1
InChIInChI=1S/C16H25N5O/c1-11-8-13(3)21(19-11)10-12(2)17-9-15-18-16(22-20-15)14-6-4-5-7-14/h8,12,14,17H,4-7,9-10H2,1-3H3/t12-/m1/s1
InChIKeyMHWMFBLQCRTCIJ-GFCCVEGCSA-N
XLogP2.72
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
CID 62343969
(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 95191455
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine
CID 95201478
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62342162
(2S,3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95302392
N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 61495486
(2S)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 95276284
1-(3,5-dimethylpyrazol-1-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)propan-2-amine
CID 56718473
(2R)-N-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 95229565
1-cyclohexyl-3-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea
CID 51852027
1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]propan-2-amine
CID 131916675
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 95205420

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
The IUPAC name of (2R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine (CID 95197767) is (2R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine.
What is the SMILES notation for (2R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
The canonical SMILES for (2R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine is Cc1cc(C)n(C[C@@H](C)NCc2noc(C3CCCC3)n2)n1.
What is the InChIKey of (2R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
The InChIKey is MHWMFBLQCRTCIJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25N5O/c1-11-8-13(3)21(19-11)10-12(2)17-9-15-18-16(22-20-15)14-6-4-5-7-14/h8,12,14,17H,4-7,9-10H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine?
(2R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine has a molecular weight of 303.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine is sourced from PubChem (CID 95197767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).