N-[(1S)-1-(1-benzylpyrazol-4-yl)ethyl]-2-(1,2-oxazol-3-yl)acetamide

C17H18N4O2 — CID 97244198

IUPACN-[(1S)-1-(1-benzylpyrazol-4-yl)ethyl]-2-(1,2-oxazol-3-yl)acetamide
SMILESC[C@H](NC(=O)Cc1ccon1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H18N4O2/c1-13(19-17(22)9-16-7-8-23-20-16)15-10-18-21(12-15)11-14-5-3-2-4-6-14/h2-8,10,12-13H,9,11H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyBSOJQOQGOVBGIE-ZDUSSCGKSA-N
MW310.36 g/mol
LogP2.34
Rot. Bonds6

About N-[(1S)-1-(1-benzylpyrazol-4-yl)ethyl]-2-(1,2-oxazol-3-yl)acetamide

N-[(1S)-1-(1-benzylpyrazol-4-yl)ethyl]-2-(1,2-oxazol-3-yl)acetamide (PubChem CID 97244198) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzylpyrazol-4-yl)ethyl]-2-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzylpyrazol-4-yl)ethyl]-2-(1,2-oxazol-3-yl)acetamide
PubChem CID97244198
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[(1S)-1-(1-benzylpyrazol-4-yl)ethyl]-2-(1,2-oxazol-3-yl)acetamide
SMILESC[C@H](NC(=O)Cc1ccon1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H18N4O2/c1-13(19-17(22)9-16-7-8-23-20-16)15-10-18-21(12-15)11-14-5-3-2-4-6-14/h2-8,10,12-13H,9,11H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyBSOJQOQGOVBGIE-ZDUSSCGKSA-N
XLogP2.34
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 71967479
2-amino-N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120993484
N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-ethylpiperazine-1-carboxamide
CID 75390241
1-[(1-benzylpyrazol-4-yl)methyl]-3-[(1S)-1-(furan-2-yl)ethyl]urea
CID 94166163
1-[(1R)-1-(1-benzylpyrazol-4-yl)ethyl]-3-[2-(1-hydroxycyclobutyl)ethyl]urea
CID 124854952
1-[(1S)-1-(1-benzylpyrazol-4-yl)ethyl]-3-[2-(1-hydroxycyclobutyl)ethyl]urea
CID 124854951
1-benzyl-N-[(1R)-1-(4-fluorophenyl)ethyl]pyrazole-4-carboxamide
CID 92538268
2-benzyl-3-[[2-(1,2-oxazol-3-yl)acetyl]amino]propanoic acid
CID 119233717
N-[1-(1-benzylpyrazol-4-yl)ethyl]-5-methoxypyrazolo[1,5-a]pyridine-3-carboxamide
CID 166192226
1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 75390022
1-[1-(1-benzylpyrazol-4-yl)ethyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 75390009
N-[(1R)-1-(2-bromophenyl)propyl]-2-(1,2-oxazol-3-yl)acetamide
CID 97096426

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzylpyrazol-4-yl)ethyl]-2-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-[(1S)-1-(1-benzylpyrazol-4-yl)ethyl]-2-(1,2-oxazol-3-yl)acetamide (CID 97244198) is N-[(1S)-1-(1-benzylpyrazol-4-yl)ethyl]-2-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(1-benzylpyrazol-4-yl)ethyl]-2-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(1-benzylpyrazol-4-yl)ethyl]-2-(1,2-oxazol-3-yl)acetamide is C[C@H](NC(=O)Cc1ccon1)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-[(1S)-1-(1-benzylpyrazol-4-yl)ethyl]-2-(1,2-oxazol-3-yl)acetamide?
The InChIKey is BSOJQOQGOVBGIE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-13(19-17(22)9-16-7-8-23-20-16)15-10-18-21(12-15)11-14-5-3-2-4-6-14/h2-8,10,12-13H,9,11H2,1H3,(H,19,22)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzylpyrazol-4-yl)ethyl]-2-(1,2-oxazol-3-yl)acetamide?
N-[(1S)-1-(1-benzylpyrazol-4-yl)ethyl]-2-(1,2-oxazol-3-yl)acetamide has a molecular weight of 310.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzylpyrazol-4-yl)ethyl]-2-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 97244198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).