N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,3-dimethylpyrazole-4-carboxamide

C15H16N4O2 — CID 110278714

IUPACN-[1-(1,3-benzoxazol-2-yl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NC(C)c1nc2ccccc2o1
InChIInChI=1S/C15H16N4O2/c1-9-11(8-19(3)18-9)14(20)16-10(2)15-17-12-6-4-5-7-13(12)21-15/h4-8,10H,1-3H3,(H,16,20)
InChIKeyRSZVYDBANSQZQO-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.36
Rot. Bonds3

About N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,3-dimethylpyrazole-4-carboxamide

N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 110278714) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzoxazol-2-yl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID110278714
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-[1-(1,3-benzoxazol-2-yl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NC(C)c1nc2ccccc2o1
InChIInChI=1S/C15H16N4O2/c1-9-11(8-19(3)18-9)14(20)16-10(2)15-17-12-6-4-5-7-13(12)21-15/h4-8,10H,1-3H3,(H,16,20)
InChIKeyRSZVYDBANSQZQO-UHFFFAOYSA-N
XLogP2.36
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,3-dimethylpyrazole-4-carboxamide (CID 110278714) is N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)NC(C)c1nc2ccccc2o1.
What is the InChIKey of N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is RSZVYDBANSQZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9-11(8-19(3)18-9)14(20)16-10(2)15-17-12-6-4-5-7-13(12)21-15/h4-8,10H,1-3H3,(H,16,20).
What are the key properties of N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,3-dimethylpyrazole-4-carboxamide?
N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 110278714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).