N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine

C15H24N4O — CID 56780282

IUPACN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
SMILESCc1cnn(CC(C)NCc2ncc(C(C)(C)C)o2)c1
InChIInChI=1S/C15H24N4O/c1-11-6-18-19(9-11)10-12(2)16-8-14-17-7-13(20-14)15(3,4)5/h6-7,9,12,16H,8,10H2,1-5H3
InChIKeyPZBBKGJJJJQYDJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.66
Rot. Bonds5

About N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine

N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine (PubChem CID 56780282) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
PubChem CID56780282
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
SMILESCc1cnn(CC(C)NCc2ncc(C(C)(C)C)o2)c1
InChIInChI=1S/C15H24N4O/c1-11-6-18-19(9-11)10-12(2)16-8-14-17-7-13(20-14)15(3,4)5/h6-7,9,12,16H,8,10H2,1-5H3
InChIKeyPZBBKGJJJJQYDJ-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
The IUPAC name of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine (CID 56780282) is N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine.
What is the SMILES notation for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
The canonical SMILES for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine is Cc1cnn(CC(C)NCc2ncc(C(C)(C)C)o2)c1.
What is the InChIKey of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
The InChIKey is PZBBKGJJJJQYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11-6-18-19(9-11)10-12(2)16-8-14-17-7-13(20-14)15(3,4)5/h6-7,9,12,16H,8,10H2,1-5H3.
What are the key properties of N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine has a molecular weight of 276.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine is sourced from PubChem (CID 56780282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).