(2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C16H15ClN4O3 — CID 100829245

IUPAC(2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)Oc2nn(-c3ccccc3)cc2Cl)no1
InChIInChI=1S/C16H15ClN4O3/c1-10-8-14(20-24-10)18-15(22)11(2)23-16-13(17)9-21(19-16)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,18,20,22)/t11-/m0/s1
InChIKeyRCBOWGHFDCIAMS-NSHDSACASA-N
MW346.77 g/mol
LogP3.23
Rot. Bonds5

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

(2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 100829245) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is (2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID100829245
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC Name(2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)Oc2nn(-c3ccccc3)cc2Cl)no1
InChIInChI=1S/C16H15ClN4O3/c1-10-8-14(20-24-10)18-15(22)11(2)23-16-13(17)9-21(19-16)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,18,20,22)/t11-/m0/s1
InChIKeyRCBOWGHFDCIAMS-NSHDSACASA-N
XLogP3.23
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100828981
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-pyridin-3-ylpropanamide
CID 102567180
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 102567212
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-phenylethyl)propanamide
CID 110210597
(2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-cyclopentylpropanamide
CID 100829263
(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)propanamide
CID 100829260
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-[(1,5-dimethylpyrazol-3-yl)methyl]propanamide
CID 102567223
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8739278
(2R)-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-pyridin-2-ylpropanamide
CID 100819781
(2S)-2-(2-chloro-5-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40647462
2-(4-benzoylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17394443
2-(2-chloro-5-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 4512597

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 100829245) is (2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)[C@H](C)Oc2nn(-c3ccccc3)cc2Cl)no1.
What is the InChIKey of (2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is RCBOWGHFDCIAMS-NSHDSACASA-N. The full InChI is InChI=1S/C16H15ClN4O3/c1-10-8-14(20-24-10)18-15(22)11(2)23-16-13(17)9-21(19-16)12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,18,20,22)/t11-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 346.77 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 100829245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).