(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

C14H20N4O2 — CID 40793189

IUPAC(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)Cn2nc(C)c(C)c2C)no1
InChIInChI=1S/C14H20N4O2/c1-8(7-18-12(5)10(3)11(4)16-18)14(19)15-13-6-9(2)20-17-13/h6,8H,7H2,1-5H3,(H,15,17,19)/t8-/m0/s1
InChIKeyQQYPGEPEYHWDLL-QMMMGPOBSA-N
MW276.34 g/mol
LogP2.38
Rot. Bonds4

About (2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (PubChem CID 40793189) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
PubChem CID40793189
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)Cn2nc(C)c(C)c2C)no1
InChIInChI=1S/C14H20N4O2/c1-8(7-18-12(5)10(3)11(4)16-18)14(19)15-13-6-9(2)20-17-13/h6,8H,7H2,1-5H3,(H,15,17,19)/t8-/m0/s1
InChIKeyQQYPGEPEYHWDLL-QMMMGPOBSA-N
XLogP2.38
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 4866503
(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 42588574
(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 42588585
(2S)-2-methyl-N-pyridin-2-yl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 40793254
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pentanamide
CID 670809
(2R)-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoic acid
CID 7258416
(2S)-2-[(2-aminoacetyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 22689772
(2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 79024953
(2S)-2-amino-3-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]butanamide
CID 22689861
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 156584218
2-[4-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 37280410
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methyl-N-(4-methyl-3,5-dinitrophenyl)propanamide
CID 19562274

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The IUPAC name of (2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (CID 40793189) is (2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for (2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The canonical SMILES for (2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)Cn2nc(C)c(C)c2C)no1.
What is the InChIKey of (2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The InChIKey is QQYPGEPEYHWDLL-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-8(7-18-12(5)10(3)11(4)16-18)14(19)15-13-6-9(2)20-17-13/h6,8H,7H2,1-5H3,(H,15,17,19)/t8-/m0/s1.
What are the key properties of (2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide has a molecular weight of 276.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 40793189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).