1-(3-tert-butyl-1H-pyrazol-5-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine

C16H26N4O — CID 77085286

IUPAC1-(3-tert-butyl-1H-pyrazol-5-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine
SMILESCC(C)c1nc(CN(C)Cc2cc(C(C)(C)C)n[nH]2)co1
InChIInChI=1S/C16H26N4O/c1-11(2)15-17-13(10-21-15)9-20(6)8-12-7-14(19-18-12)16(3,4)5/h7,10-11H,8-9H2,1-6H3,(H,18,19)
InChIKeyBYCQFDGPRCTEJL-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.45
Rot. Bonds5

About 1-(3-tert-butyl-1H-pyrazol-5-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine

1-(3-tert-butyl-1H-pyrazol-5-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine (PubChem CID 77085286) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(3-tert-butyl-1H-pyrazol-5-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-tert-butyl-1H-pyrazol-5-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine
PubChem CID77085286
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-(3-tert-butyl-1H-pyrazol-5-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine
SMILESCC(C)c1nc(CN(C)Cc2cc(C(C)(C)C)n[nH]2)co1
InChIInChI=1S/C16H26N4O/c1-11(2)15-17-13(10-21-15)9-20(6)8-12-7-14(19-18-12)16(3,4)5/h7,10-11H,8-9H2,1-6H3,(H,18,19)
InChIKeyBYCQFDGPRCTEJL-UHFFFAOYSA-N
XLogP3.45
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1H-pyrazol-5-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(3-tert-butyl-1H-pyrazol-5-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine (CID 77085286) is 1-(3-tert-butyl-1H-pyrazol-5-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-tert-butyl-1H-pyrazol-5-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3-tert-butyl-1H-pyrazol-5-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine is CC(C)c1nc(CN(C)Cc2cc(C(C)(C)C)n[nH]2)co1.
What is the InChIKey of 1-(3-tert-butyl-1H-pyrazol-5-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine?
The InChIKey is BYCQFDGPRCTEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11(2)15-17-13(10-21-15)9-20(6)8-12-7-14(19-18-12)16(3,4)5/h7,10-11H,8-9H2,1-6H3,(H,18,19).
What are the key properties of 1-(3-tert-butyl-1H-pyrazol-5-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine?
1-(3-tert-butyl-1H-pyrazol-5-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine has a molecular weight of 290.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1H-pyrazol-5-yl)-N-methyl-N-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]methanamine is sourced from PubChem (CID 77085286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).