N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide

C17H20N4O2 — CID 24793866

IUPACN-[1-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide
SMILESCC(C)c1nc2cc(C(=O)NC(C)c3cnn(C)c3)ccc2o1
InChIInChI=1S/C17H20N4O2/c1-10(2)17-20-14-7-12(5-6-15(14)23-17)16(22)19-11(3)13-8-18-21(4)9-13/h5-11H,1-4H3,(H,19,22)
InChIKeyGZXLYJREORRXLS-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.18
Rot. Bonds4

About N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide

N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide (PubChem CID 24793866) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide
PubChem CID24793866
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[1-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide
SMILESCC(C)c1nc2cc(C(=O)NC(C)c3cnn(C)c3)ccc2o1
InChIInChI=1S/C17H20N4O2/c1-10(2)17-20-14-7-12(5-6-15(14)23-17)16(22)19-11(3)13-8-18-21(4)9-13/h5-11H,1-4H3,(H,19,22)
InChIKeyGZXLYJREORRXLS-UHFFFAOYSA-N
XLogP3.18
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide (CID 24793866) is N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide is CC(C)c1nc2cc(C(=O)NC(C)c3cnn(C)c3)ccc2o1.
What is the InChIKey of N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The InChIKey is GZXLYJREORRXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-10(2)17-20-14-7-12(5-6-15(14)23-17)16(22)19-11(3)13-8-18-21(4)9-13/h5-11H,1-4H3,(H,19,22).
What are the key properties of N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide?
N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 24793866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).