(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazol-3-yl)oxypropanamide

C16H16N4O3 — CID 100828981

IUPAC(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazol-3-yl)oxypropanamide
SMILESCc1cc(NC(=O)[C@@H](C)Oc2ccn(-c3ccccc3)n2)no1
InChIInChI=1S/C16H16N4O3/c1-11-10-14(19-23-11)17-16(21)12(2)22-15-8-9-20(18-15)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,17,19,21)/t12-/m1/s1
InChIKeyVBOKPEIAVJMGSY-GFCCVEGCSA-N
MW312.33 g/mol
LogP2.57
Rot. Bonds5

About (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazol-3-yl)oxypropanamide

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazol-3-yl)oxypropanamide (PubChem CID 100828981) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazol-3-yl)oxypropanamide.

Molecular Properties

Compound Name(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazol-3-yl)oxypropanamide
PubChem CID100828981
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazol-3-yl)oxypropanamide
SMILESCc1cc(NC(=O)[C@@H](C)Oc2ccn(-c3ccccc3)n2)no1
InChIInChI=1S/C16H16N4O3/c1-11-10-14(19-23-11)17-16(21)12(2)22-15-8-9-20(18-15)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,17,19,21)/t12-/m1/s1
InChIKeyVBOKPEIAVJMGSY-GFCCVEGCSA-N
XLogP2.57
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-phenyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819963
(2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 100829245
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100829367
3-[[(2S)-2-(1-phenylpyrazol-3-yl)oxypropanoyl]amino]benzamide
CID 100819977
2-(4-benzoylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17394443
(2R)-N-benzyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819911
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8739278
(2S)-N-cyclopentyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819947
2-(4-bromophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide
CID 55547798
(2R)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
CID 100828979
(2S)-2-(1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
CID 100828980
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819925

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazol-3-yl)oxypropanamide?
The IUPAC name of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazol-3-yl)oxypropanamide (CID 100828981) is (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazol-3-yl)oxypropanamide.
What is the SMILES notation for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazol-3-yl)oxypropanamide?
The canonical SMILES for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazol-3-yl)oxypropanamide is Cc1cc(NC(=O)[C@@H](C)Oc2ccn(-c3ccccc3)n2)no1.
What is the InChIKey of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazol-3-yl)oxypropanamide?
The InChIKey is VBOKPEIAVJMGSY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-11-10-14(19-23-11)17-16(21)12(2)22-15-8-9-20(18-15)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,17,19,21)/t12-/m1/s1.
What are the key properties of (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazol-3-yl)oxypropanamide?
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazol-3-yl)oxypropanamide has a molecular weight of 312.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazol-3-yl)oxypropanamide is sourced from PubChem (CID 100828981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).