4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide

C21H20N4O3 — CID 55729558

IUPAC4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C21H20N4O3/c26-20(6-3-13-25-18-4-1-2-5-19(18)28-21(25)27)22-14-15-7-9-16(10-8-15)17-11-12-23-24-17/h1-2,4-5,7-12H,3,6,13-14H2,(H,22,26)(H,23,24)
InChIKeyJKPGQCIDVOXIMZ-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.08
Rot. Bonds7

About 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide

4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide (PubChem CID 55729558) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
PubChem CID55729558
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C21H20N4O3/c26-20(6-3-13-25-18-4-1-2-5-19(18)28-21(25)27)22-14-15-7-9-16(10-8-15)17-11-12-23-24-17/h1-2,4-5,7-12H,3,6,13-14H2,(H,22,26)(H,23,24)
InChIKeyJKPGQCIDVOXIMZ-UHFFFAOYSA-N
XLogP3.08
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide with MolForge

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Related Compounds

N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 24514497
N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 46454589
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 18132322
N-[(4-cyanophenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 52571612
4-(2-oxo-1,3-benzoxazol-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 9021135
N-butyl-4-[[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]benzamide
CID 86986290
N-[(4-butoxy-3-methoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 39971590
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 46425090
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 18110295
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 7974357
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55817540
N-(2-benzylsulfanylethyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18195767

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide?
The IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide (CID 55729558) is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide?
The canonical SMILES for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide is O=C(CCCn1c(=O)oc2ccccc21)NCc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide?
The InChIKey is JKPGQCIDVOXIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-20(6-3-13-25-18-4-1-2-5-19(18)28-21(25)27)22-14-15-7-9-16(10-8-15)17-11-12-23-24-17/h1-2,4-5,7-12H,3,6,13-14H2,(H,22,26)(H,23,24).
What are the key properties of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide?
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide has a molecular weight of 376.42 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide is sourced from PubChem (CID 55729558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).