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

C16H18N4O2 — CID 110278744

IUPACN-[1-(1,3-benzoxazol-2-yl)ethyl]-1-propylpyrazole-3-carboxamide
SMILESCCCn1ccc(C(=O)NC(C)c2nc3ccccc3o2)n1
InChIInChI=1S/C16H18N4O2/c1-3-9-20-10-8-13(19-20)15(21)17-11(2)16-18-12-6-4-5-7-14(12)22-16/h4-8,10-11H,3,9H2,1-2H3,(H,17,21)
InChIKeyNSEOKBUSSNZVQO-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.93
Rot. Bonds5

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

N-[1-(1,3-benzoxazol-2-yl)ethyl]-1-propylpyrazole-3-carboxamide (PubChem CID 110278744) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[1-(1,3-benzoxazol-2-yl)ethyl]-1-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzoxazol-2-yl)ethyl]-1-propylpyrazole-3-carboxamide
PubChem CID110278744
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[1-(1,3-benzoxazol-2-yl)ethyl]-1-propylpyrazole-3-carboxamide
SMILESCCCn1ccc(C(=O)NC(C)c2nc3ccccc3o2)n1
InChIInChI=1S/C16H18N4O2/c1-3-9-20-10-8-13(19-20)15(21)17-11(2)16-18-12-6-4-5-7-14(12)22-16/h4-8,10-11H,3,9H2,1-2H3,(H,17,21)
InChIKeyNSEOKBUSSNZVQO-UHFFFAOYSA-N
XLogP2.93
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1,3-benzoxazol-2-yl)ethyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 110278748
N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110278714
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,2-dimethylbutanamide
CID 110278975
N-[1-(1,3-benzoxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 110278958
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-ethylhexanamide
CID 110278925
1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 35535185
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 110278979
N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 110278820
N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 110278731
N-[1-(1,3-benzoxazol-2-yl)ethyl]cyclohexanecarboxamide
CID 110278943
N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,2,3-trimethylindole-5-carboxamide
CID 110278666
N-[1-(1,3-benzoxazol-2-yl)ethyl]-3-(4-chloropyrazol-1-yl)-2-methylpropanamide
CID 110278723

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]-1-propylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]-1-propylpyrazole-3-carboxamide (CID 110278744) is N-[1-(1,3-benzoxazol-2-yl)ethyl]-1-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzoxazol-2-yl)ethyl]-1-propylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(1,3-benzoxazol-2-yl)ethyl]-1-propylpyrazole-3-carboxamide is CCCn1ccc(C(=O)NC(C)c2nc3ccccc3o2)n1.
What is the InChIKey of N-[1-(1,3-benzoxazol-2-yl)ethyl]-1-propylpyrazole-3-carboxamide?
The InChIKey is NSEOKBUSSNZVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-3-9-20-10-8-13(19-20)15(21)17-11(2)16-18-12-6-4-5-7-14(12)22-16/h4-8,10-11H,3,9H2,1-2H3,(H,17,21).
What are the key properties of N-[1-(1,3-benzoxazol-2-yl)ethyl]-1-propylpyrazole-3-carboxamide?
N-[1-(1,3-benzoxazol-2-yl)ethyl]-1-propylpyrazole-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.93, 5 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-propylpyrazole-3-carboxamide is sourced from PubChem (CID 110278744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).