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

C14H14N4O2 — CID 110475867

IUPACN-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCc2nc3ccccc3o2)cn1
InChIInChI=1S/C14H14N4O2/c1-18-9-10(8-16-18)14(19)15-7-6-13-17-11-4-2-3-5-12(11)20-13/h2-5,8-9H,6-7H2,1H3,(H,15,19)
InChIKeyOQTZTLZOCGPGLJ-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.53
Rot. Bonds4

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

N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide (PubChem CID 110475867) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide
PubChem CID110475867
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCc2nc3ccccc3o2)cn1
InChIInChI=1S/C14H14N4O2/c1-18-9-10(8-16-18)14(19)15-7-6-13-17-11-4-2-3-5-12(11)20-13/h2-5,8-9H,6-7H2,1H3,(H,15,19)
InChIKeyOQTZTLZOCGPGLJ-UHFFFAOYSA-N
XLogP1.53
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-fluorobenzamide
CID 110711789
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 110711801
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-phenylacetamide
CID 110711803
N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-bromobenzamide
CID 110711791
N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide
CID 86994452
(3R,4S)-N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-hydroxy-1-methylpiperidine-3-carboxamide
CID 157014343
N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpiperidine-3-carboxamide
CID 91766973
(2S)-N-[2-(1,3-benzoxazol-2-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 124730361
1-methyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
CID 18149355
N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 19474676
N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-propanoylpiperidine-4-carboxamide
CID 118764984
N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide
CID 154576781

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide (CID 110475867) is N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCCc2nc3ccccc3o2)cn1.
What is the InChIKey of N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is OQTZTLZOCGPGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-18-9-10(8-16-18)14(19)15-7-6-13-17-11-4-2-3-5-12(11)20-13/h2-5,8-9H,6-7H2,1H3,(H,15,19).
What are the key properties of N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide?
N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-2-yl)ethyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 110475867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).