(2R)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylpropanamide

C17H18N4O2 — CID 95906882

IUPAC(2R)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylpropanamide
SMILESCc1ccc(-c2nc(CNC(=O)[C@@H](C)n3cccn3)co2)cc1
InChIInChI=1S/C17H18N4O2/c1-12-4-6-14(7-5-12)17-20-15(11-23-17)10-18-16(22)13(2)21-9-3-8-19-21/h3-9,11,13H,10H2,1-2H3,(H,18,22)/t13-/m1/s1
InChIKeyARLCTOWDQBPSTB-CYBMUJFWSA-N
MW310.36 g/mol
LogP2.72
Rot. Bonds5

About (2R)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylpropanamide

(2R)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylpropanamide (PubChem CID 95906882) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (2R)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylpropanamide
PubChem CID95906882
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name(2R)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylpropanamide
SMILESCc1ccc(-c2nc(CNC(=O)[C@@H](C)n3cccn3)co2)cc1
InChIInChI=1S/C17H18N4O2/c1-12-4-6-14(7-5-12)17-20-15(11-23-17)10-18-16(22)13(2)21-9-3-8-19-21/h3-9,11,13H,10H2,1-2H3,(H,18,22)/t13-/m1/s1
InChIKeyARLCTOWDQBPSTB-CYBMUJFWSA-N
XLogP2.72
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 134060372
(2S)-2-(benzimidazol-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide
CID 129397081
(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 94036213
N-[(3-methylthiophen-2-yl)methyl]-2-pyrazol-1-ylpropanamide
CID 47163720
1-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine
CID 111591669
2-methyl-N-[4-[[[N'-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]carbamimidoyl]amino]methyl]phenyl]propanamide
CID 111590161
1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine
CID 111590791
2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-[(1-methylpyrrol-2-yl)methyl]guanidine
CID 119154886
1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine;hydroiodide
CID 111590790
2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-(pyridin-2-ylmethyl)guanidine
CID 111592113
3-[[N'-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111591351
2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]guanidine
CID 111590725

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of (2R)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylpropanamide (CID 95906882) is (2R)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2R)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for (2R)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylpropanamide is Cc1ccc(-c2nc(CNC(=O)[C@@H](C)n3cccn3)co2)cc1.
What is the InChIKey of (2R)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is ARLCTOWDQBPSTB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-4-6-14(7-5-12)17-20-15(11-23-17)10-18-16(22)13(2)21-9-3-8-19-21/h3-9,11,13H,10H2,1-2H3,(H,18,22)/t13-/m1/s1.
What are the key properties of (2R)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylpropanamide?
(2R)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 310.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 95906882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).