N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-methoxybenzamide

C17H18N4O3 — CID 25206166

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cnn(Cc3c(C)noc3C)c2)c1
InChIInChI=1S/C17H18N4O3/c1-11-16(12(2)24-20-11)10-21-9-14(8-18-21)19-17(22)13-5-4-6-15(7-13)23-3/h4-9H,10H2,1-3H3,(H,19,22)
InChIKeyRZFHVTNSPWECCN-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.80
Rot. Bonds5

About N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-methoxybenzamide

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-methoxybenzamide (PubChem CID 25206166) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-methoxybenzamide
PubChem CID25206166
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cnn(Cc3c(C)noc3C)c2)c1
InChIInChI=1S/C17H18N4O3/c1-11-16(12(2)24-20-11)10-21-9-14(8-18-21)19-17(22)13-5-4-6-15(7-13)23-3/h4-9H,10H2,1-3H3,(H,19,22)
InChIKeyRZFHVTNSPWECCN-UHFFFAOYSA-N
XLogP2.80
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-methoxybenzamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-methoxybenzamide (CID 25206166) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-methoxybenzamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2cnn(Cc3c(C)noc3C)c2)c1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-methoxybenzamide?
The InChIKey is RZFHVTNSPWECCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-11-16(12(2)24-20-11)10-21-9-14(8-18-21)19-17(22)13-5-4-6-15(7-13)23-3/h4-9H,10H2,1-3H3,(H,19,22).
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-methoxybenzamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-methoxybenzamide has a molecular weight of 326.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-methoxybenzamide is sourced from PubChem (CID 25206166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).