3-(3-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide

C21H18N4O3 — CID 46975885

IUPAC3-(3-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cccc(Cn4cccn4)c3)on2)c1
InChIInChI=1S/C21H18N4O3/c1-27-18-8-3-6-16(12-18)19-13-20(28-24-19)21(26)23-17-7-2-5-15(11-17)14-25-10-4-9-22-25/h2-13H,14H2,1H3,(H,23,26)
InChIKeyGJYKQHHCRLALNM-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.85
Rot. Bonds6

About 3-(3-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide

3-(3-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 46975885) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID46975885
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name3-(3-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cccc(Cn4cccn4)c3)on2)c1
InChIInChI=1S/C21H18N4O3/c1-27-18-8-3-6-16(12-18)19-13-20(28-24-19)21(26)23-17-7-2-5-15(11-17)14-25-10-4-9-22-25/h2-13H,14H2,1H3,(H,23,26)
InChIKeyGJYKQHHCRLALNM-UHFFFAOYSA-N
XLogP3.85
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 46974809
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 55666254
3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39695125
5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17022145
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39697430
N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 17096006
2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 79272205
2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39694973
6-(furan-2-yl)-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55610716
2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 86929818
2-(2-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39695127
2-methyl-2-(methylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 62836036

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide (CID 46975885) is 3-(3-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide is COc1cccc(-c2cc(C(=O)Nc3cccc(Cn4cccn4)c3)on2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is GJYKQHHCRLALNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-27-18-8-3-6-16(12-18)19-13-20(28-24-19)21(26)23-17-7-2-5-15(11-17)14-25-10-4-9-22-25/h2-13H,14H2,1H3,(H,23,26).
What are the key properties of 3-(3-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide?
3-(3-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46975885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).