5-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-1,2-oxazole-4-carboxamide

C15H18N4O2 — CID 133266106

IUPAC5-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCC1CC(c2ccccc2)NN1
InChIInChI=1S/C15H18N4O2/c1-10-13(9-17-21-10)15(20)16-8-12-7-14(19-18-12)11-5-3-2-4-6-11/h2-6,9,12,14,18-19H,7-8H2,1H3,(H,16,20)
InChIKeyOODJHQIWQNOKFZ-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.32
Rot. Bonds4

About 5-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-1,2-oxazole-4-carboxamide

5-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-1,2-oxazole-4-carboxamide (PubChem CID 133266106) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 5-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-1,2-oxazole-4-carboxamide
PubChem CID133266106
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name5-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCC1CC(c2ccccc2)NN1
InChIInChI=1S/C15H18N4O2/c1-10-13(9-17-21-10)15(20)16-8-12-7-14(19-18-12)11-5-3-2-4-6-11/h2-6,9,12,14,18-19H,7-8H2,1H3,(H,16,20)
InChIKeyOODJHQIWQNOKFZ-UHFFFAOYSA-N
XLogP1.32
TPSA79.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide
CID 133113416
5-methyl-N-(morpholin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 103548403
N-[[(3S)-3,4-dihydro-1H-isochromen-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 100751269
N'-benzyl-5-methyl-1,2-oxazole-4-carbohydrazide
CID 67841632
5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide
CID 53002354
ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane
CID 91575161
N-(3-amino-3-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 80506645
N-(2-acetamidoethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682601
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43594338
2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 62675825
N-[2-(2-chloroethoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 114297508
5-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 61241953

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-1,2-oxazole-4-carboxamide (CID 133266106) is 5-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NCC1CC(c2ccccc2)NN1.
What is the InChIKey of 5-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is OODJHQIWQNOKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-13(9-17-21-10)15(20)16-8-12-7-14(19-18-12)11-5-3-2-4-6-11/h2-6,9,12,14,18-19H,7-8H2,1H3,(H,16,20).
What are the key properties of 5-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-1,2-oxazole-4-carboxamide?
5-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 133266106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).