N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-propylpyrazol-4-amine

C15H24N4O — CID 86791923

IUPACN-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-propylpyrazol-4-amine
SMILESCCCn1cc(NC(C)c2ncc(C(C)(C)C)o2)cn1
InChIInChI=1S/C15H24N4O/c1-6-7-19-10-12(8-17-19)18-11(2)14-16-9-13(20-14)15(3,4)5/h8-11,18H,6-7H2,1-5H3
InChIKeyLEFQOOACMPTART-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.75
Rot. Bonds5

About N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-propylpyrazol-4-amine

N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-propylpyrazol-4-amine (PubChem CID 86791923) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-propylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-propylpyrazol-4-amine
PubChem CID86791923
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-propylpyrazol-4-amine
SMILESCCCn1cc(NC(C)c2ncc(C(C)(C)C)o2)cn1
InChIInChI=1S/C15H24N4O/c1-6-7-19-10-12(8-17-19)18-11(2)14-16-9-13(20-14)15(3,4)5/h8-11,18H,6-7H2,1-5H3
InChIKeyLEFQOOACMPTART-UHFFFAOYSA-N
XLogP3.75
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine
CID 97338512
N-pentan-2-yl-1-propylpyrazol-4-amine
CID 115921377
1-propyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrazol-4-amine
CID 97309859
N-[(2S)-1-methoxypropan-2-yl]-1-propylpyrazol-4-amine
CID 97338513
N-(1-cyclopropylpropan-2-yl)-1-propylpyrazol-4-amine
CID 115921375
N-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propylpyrazol-4-amine
CID 139004142
N-(3-methylhex-5-en-2-yl)-1-propylpyrazol-4-amine
CID 115921396
1-propyl-N-[(2R)-4-pyrazol-1-ylbutan-2-yl]pyrazol-4-amine
CID 97342085
1-(2-hydroxy-2,3-dimethylbutyl)-3-(1-propylpyrazol-4-yl)urea
CID 111475599
N-(1-cyclobutylpropan-2-yl)-1-propylpyrazol-4-amine
CID 115921376
(2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(1-propylpyrazol-4-yl)amino]propanamide
CID 99823005
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(1-propylpyrazol-4-yl)amino]propanamide
CID 99823004

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-propylpyrazol-4-amine?
The IUPAC name of N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-propylpyrazol-4-amine (CID 86791923) is N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-propylpyrazol-4-amine.
What is the SMILES notation for N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-propylpyrazol-4-amine?
The canonical SMILES for N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-propylpyrazol-4-amine is CCCn1cc(NC(C)c2ncc(C(C)(C)C)o2)cn1.
What is the InChIKey of N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-propylpyrazol-4-amine?
The InChIKey is LEFQOOACMPTART-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-6-7-19-10-12(8-17-19)18-11(2)14-16-9-13(20-14)15(3,4)5/h8-11,18H,6-7H2,1-5H3.
What are the key properties of N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-propylpyrazol-4-amine?
N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-propylpyrazol-4-amine has a molecular weight of 276.38 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-propylpyrazol-4-amine is sourced from PubChem (CID 86791923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).