N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-2-methylpyrazole-3-carboxamide

C17H18N4O3 — CID 146122184

IUPACN-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-2-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2nc(CCNC(=O)c3ccnn3C)co2)cc1
InChIInChI=1S/C17H18N4O3/c1-21-15(8-10-19-21)16(22)18-9-7-13-11-24-17(20-13)12-3-5-14(23-2)6-4-12/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,22)
InChIKeyNZXZHAJOHXRKJP-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.06
Rot. Bonds6

About N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-2-methylpyrazole-3-carboxamide

N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 146122184) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-2-methylpyrazole-3-carboxamide
PubChem CID146122184
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-2-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2nc(CCNC(=O)c3ccnn3C)co2)cc1
InChIInChI=1S/C17H18N4O3/c1-21-15(8-10-19-21)16(22)18-9-7-13-11-24-17(20-13)12-3-5-14(23-2)6-4-12/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,22)
InChIKeyNZXZHAJOHXRKJP-UHFFFAOYSA-N
XLogP2.06
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 146125052
3-chloro-5-methoxy-N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 146122824
N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-3-methyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxamide
CID 146152069
3-methoxy-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 146122399
N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 146127190
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea
CID 86816786
2-methyl-N-[2-(4-methylphenyl)ethyl]pyrazole-3-carboxamide
CID 112528913
N-(3-methoxypropyl)-2-methylpyrazole-3-carboxamide
CID 19475749
2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-propylacetamide
CID 38640450
N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide
CID 68983390
N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 146121971
1-(2-methoxyethyl)-2-methyl-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]guanidine
CID 110941344

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-2-methylpyrazole-3-carboxamide (CID 146122184) is N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-2-methylpyrazole-3-carboxamide is COc1ccc(-c2nc(CCNC(=O)c3ccnn3C)co2)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is NZXZHAJOHXRKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-21-15(8-10-19-21)16(22)18-9-7-13-11-24-17(20-13)12-3-5-14(23-2)6-4-12/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,22).
What are the key properties of N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-2-methylpyrazole-3-carboxamide?
N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 146122184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).