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

C15H16N4O3 — CID 57422289

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cnn(Cc3c(C)noc3C)c2)o1
InChIInChI=1S/C15H16N4O3/c1-9-4-5-14(21-9)15(20)17-12-6-16-19(7-12)8-13-10(2)18-22-11(13)3/h4-7H,8H2,1-3H3,(H,17,20)
InChIKeyIQHXYOQVDXUYRL-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.69
Rot. Bonds4

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

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylfuran-2-carboxamide (PubChem CID 57422289) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylfuran-2-carboxamide
PubChem CID57422289
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cnn(Cc3c(C)noc3C)c2)o1
InChIInChI=1S/C15H16N4O3/c1-9-4-5-14(21-9)15(20)17-12-6-16-19(7-12)8-13-10(2)18-22-11(13)3/h4-7H,8H2,1-3H3,(H,17,20)
InChIKeyIQHXYOQVDXUYRL-UHFFFAOYSA-N
XLogP2.69
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.69
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]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylfuran-2-carboxamide (CID 57422289) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)Nc2cnn(Cc3c(C)noc3C)c2)o1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylfuran-2-carboxamide?
The InChIKey is IQHXYOQVDXUYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-9-4-5-14(21-9)15(20)17-12-6-16-19(7-12)8-13-10(2)18-22-11(13)3/h4-7H,8H2,1-3H3,(H,17,20).
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylfuran-2-carboxamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylfuran-2-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 2.69, 4 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]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 57422289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).