N'-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide

C17H15N5O3 — CID 34592077

IUPACN'-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide
SMILESCn1cc(/C=C/C(=O)NNC(=O)c2cc(-c3ccccc3)on2)cn1
InChIInChI=1S/C17H15N5O3/c1-22-11-12(10-18-22)7-8-16(23)19-20-17(24)14-9-15(25-21-14)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,23)(H,20,24)/b8-7+
InChIKeyUTSXZMCWWQUFQA-BQYQJAHWSA-N
MW337.34 g/mol
LogP1.55
Rot. Bonds4

About N'-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide

N'-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide (PubChem CID 34592077) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is N'-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide
PubChem CID34592077
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC NameN'-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide
SMILESCn1cc(/C=C/C(=O)NNC(=O)c2cc(-c3ccccc3)on2)cn1
InChIInChI=1S/C17H15N5O3/c1-22-11-12(10-18-22)7-8-16(23)19-20-17(24)14-9-15(25-21-14)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,23)(H,20,24)/b8-7+
InChIKeyUTSXZMCWWQUFQA-BQYQJAHWSA-N
XLogP1.55
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(1-methylpyrazol-4-yl)-N-(1-phenylethyl)prop-2-enamide
CID 17393178
(E)-N-[(R)-cyclopropyl(phenyl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 31514981
ethane;1-(5-phenyl-1,2-oxazol-3-yl)ethanone
CID 145281683
N-(2,2-diphenylpropyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 74290300
(1E,4E)-1,5-bis(1-methylpyrazol-4-yl)penta-1,4-dien-3-one
CID 122177397
(E)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 103860697
5-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,2-oxazole-3-carbohydrazide
CID 39429005
N'-(1-methylsulfonylpyrrolidine-2-carbonyl)-5-phenyl-1,2-oxazole-3-carbohydrazide
CID 51111295
(5-phenyl-1,2-oxazol-3-yl)methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
CID 8568914
N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide
CID 35953866
N-[1-[2-(dimethylamino)-1-phenylethyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 146230184
5-phenyl-N-pyridazin-4-yl-1,2-oxazole-3-carboxamide
CID 154876265

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide?
The IUPAC name of N'-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide (CID 34592077) is N'-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide is Cn1cc(/C=C/C(=O)NNC(=O)c2cc(-c3ccccc3)on2)cn1.
What is the InChIKey of N'-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide?
The InChIKey is UTSXZMCWWQUFQA-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-22-11-12(10-18-22)7-8-16(23)19-20-17(24)14-9-15(25-21-14)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,23)(H,20,24)/b8-7+.
What are the key properties of N'-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide?
N'-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide has a molecular weight of 337.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-5-phenyl-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 34592077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).