(2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyrazol-1-ylbutanamide

C15H22N4O2 — CID 97148644

IUPAC(2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyrazol-1-ylbutanamide
SMILESCC[C@H](C(=O)NCc1cc(CC(C)C)no1)n1cccn1
InChIInChI=1S/C15H22N4O2/c1-4-14(19-7-5-6-17-19)15(20)16-10-13-9-12(18-21-13)8-11(2)3/h5-7,9,11,14H,4,8,10H2,1-3H3,(H,16,20)/t14-/m1/s1
InChIKeyIBKYZIHYPKPDDE-CQSZACIVSA-N
MW290.37 g/mol
LogP2.34
Rot. Bonds7

About (2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyrazol-1-ylbutanamide

(2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyrazol-1-ylbutanamide (PubChem CID 97148644) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound Name(2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyrazol-1-ylbutanamide
PubChem CID97148644
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyrazol-1-ylbutanamide
SMILESCC[C@H](C(=O)NCc1cc(CC(C)C)no1)n1cccn1
InChIInChI=1S/C15H22N4O2/c1-4-14(19-7-5-6-17-19)15(20)16-10-13-9-12(18-21-13)8-11(2)3/h5-7,9,11,14H,4,8,10H2,1-3H3,(H,16,20)/t14-/m1/s1
InChIKeyIBKYZIHYPKPDDE-CQSZACIVSA-N
XLogP2.34
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 97156398
5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 124843027
N-methyl-5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 97131726
(2S)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrazol-1-ylbutanamide
CID 97145040
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyridin-3-ylacetamide
CID 91770070
(2R)-2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)butanamide
CID 97144566
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylacetamide
CID 91789465
(2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbutanamide
CID 97151638
(2S)-N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-pyrazol-1-ylbutanamide
CID 97112821
(2R)-N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-pyrazol-1-ylbutanamide
CID 97112822
(2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 99947725
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylbutanamide
CID 135117050

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyrazol-1-ylbutanamide?
The IUPAC name of (2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyrazol-1-ylbutanamide (CID 97148644) is (2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for (2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyrazol-1-ylbutanamide?
The canonical SMILES for (2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyrazol-1-ylbutanamide is CC[C@H](C(=O)NCc1cc(CC(C)C)no1)n1cccn1.
What is the InChIKey of (2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyrazol-1-ylbutanamide?
The InChIKey is IBKYZIHYPKPDDE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-4-14(19-7-5-6-17-19)15(20)16-10-13-9-12(18-21-13)8-11(2)3/h5-7,9,11,14H,4,8,10H2,1-3H3,(H,16,20)/t14-/m1/s1.
What are the key properties of (2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyrazol-1-ylbutanamide?
(2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyrazol-1-ylbutanamide has a molecular weight of 290.37 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 97148644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).