3-(2-acetamidophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H21N5O3 — CID 117074579

IUPAC3-(2-acetamidophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCCn1cc(NC(=O)C2CC(c3ccccc3NC(C)=O)=NO2)cn1
InChIInChI=1S/C18H21N5O3/c1-3-8-23-11-13(10-19-23)21-18(25)17-9-16(22-26-17)14-6-4-5-7-15(14)20-12(2)24/h4-7,10-11,17H,3,8-9H2,1-2H3,(H,20,24)(H,21,25)
InChIKeySEJNHYAPICSJNG-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.38
Rot. Bonds6

About 3-(2-acetamidophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2-acetamidophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 117074579) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-(2-acetamidophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-acetamidophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID117074579
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name3-(2-acetamidophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCCn1cc(NC(=O)C2CC(c3ccccc3NC(C)=O)=NO2)cn1
InChIInChI=1S/C18H21N5O3/c1-3-8-23-11-13(10-19-23)21-18(25)17-9-16(22-26-17)14-6-4-5-7-15(14)20-12(2)24/h4-7,10-11,17H,3,8-9H2,1-2H3,(H,20,24)(H,21,25)
InChIKeySEJNHYAPICSJNG-UHFFFAOYSA-N
XLogP2.38
TPSA97.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-3-(2,5-difluorophenyl)-N-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95623071
N-(1-tert-butylpyrazol-4-yl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide;hydrochloride
CID 136962136
3-(2-hydroxyphenyl)-N-(1-propylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 136962145
(5R)-3-(4-chlorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1249101
3-(1-ethyl-3-methylpyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095979
N-(1-benzylpyrazol-4-yl)-3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 166358020
N-butyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095813
N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19496000
N-(3-chloro-4-methylphenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495879
(5S)-N-ethyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 93143687
(5R)-3-(2-fluorophenyl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638520
(5R)-N-(2-hydroxy-5-methylphenyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 135829493

Frequently Asked Questions

What is the IUPAC name of 3-(2-acetamidophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-acetamidophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 117074579) is 3-(2-acetamidophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-acetamidophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-acetamidophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CCCn1cc(NC(=O)C2CC(c3ccccc3NC(C)=O)=NO2)cn1.
What is the InChIKey of 3-(2-acetamidophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is SEJNHYAPICSJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-3-8-23-11-13(10-19-23)21-18(25)17-9-16(22-26-17)14-6-4-5-7-15(14)20-12(2)24/h4-7,10-11,17H,3,8-9H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 3-(2-acetamidophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2-acetamidophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetamidophenyl)-N-(1-propylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 117074579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).