N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide

C22H20N4O3 — CID 56529981

IUPACN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide
SMILESCCc1ccc(-c2cc(NC(=O)c3ccn(-c4ccc(OC)cc4)n3)on2)cc1
InChIInChI=1S/C22H20N4O3/c1-3-15-4-6-16(7-5-15)20-14-21(29-25-20)23-22(27)19-12-13-26(24-19)17-8-10-18(28-2)11-9-17/h4-14H,3H2,1-2H3,(H,23,27)
InChIKeyUCKLWKPTMSXNEE-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.35
Rot. Bonds6

About N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide

N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide (PubChem CID 56529981) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide
PubChem CID56529981
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide
SMILESCCc1ccc(-c2cc(NC(=O)c3ccn(-c4ccc(OC)cc4)n3)on2)cc1
InChIInChI=1S/C22H20N4O3/c1-3-15-4-6-16(7-5-15)20-14-21(29-25-20)23-22(27)19-12-13-26(24-19)17-8-10-18(28-2)11-9-17/h4-14H,3H2,1-2H3,(H,23,27)
InChIKeyUCKLWKPTMSXNEE-UHFFFAOYSA-N
XLogP4.35
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide
CID 60571372
2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 13362982
N-(2-hydroxyphenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 60572392
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 56544663
methyl 2-[4-[[3-(4-ethylphenyl)-1,2-oxazol-5-yl]carbamoyl]-2-methoxyphenoxy]acetate
CID 56570036
2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]butanoic acid
CID 119223991
3,5-diacetamido-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56544955
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 56544891
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 56530199
1-(4-methoxyphenyl)-N-(3-propanoylphenyl)pyrazole-3-carboxamide
CID 71845909
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-2,5-difluorobenzamide
CID 56569806
4-cyano-N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]benzamide
CID 56529985

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide (CID 56529981) is N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide is CCc1ccc(-c2cc(NC(=O)c3ccn(-c4ccc(OC)cc4)n3)on2)cc1.
What is the InChIKey of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
The InChIKey is UCKLWKPTMSXNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-3-15-4-6-16(7-5-15)20-14-21(29-25-20)23-22(27)19-12-13-26(24-19)17-8-10-18(28-2)11-9-17/h4-14H,3H2,1-2H3,(H,23,27).
What are the key properties of N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide?
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 56529981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).