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

C19H22N4O — CID 84585568

IUPACN-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-4-pyrimidin-5-ylaniline
SMILESCC(Nc1ccc(-c2cncnc2)cc1)c1ncc(C(C)(C)C)o1
InChIInChI=1S/C19H22N4O/c1-13(18-22-11-17(24-18)19(2,3)4)23-16-7-5-14(6-8-16)15-9-20-12-21-10-15/h5-13,23H,1-4H3
InChIKeyFTOZTVWOMJAMSJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.60
Rot. Bonds4

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

N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-4-pyrimidin-5-ylaniline (PubChem CID 84585568) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-4-pyrimidin-5-ylaniline.

Molecular Properties

Compound NameN-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-4-pyrimidin-5-ylaniline
PubChem CID84585568
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-4-pyrimidin-5-ylaniline
SMILESCC(Nc1ccc(-c2cncnc2)cc1)c1ncc(C(C)(C)C)o1
InChIInChI=1S/C19H22N4O/c1-13(18-22-11-17(24-18)19(2,3)4)23-16-7-5-14(6-8-16)15-9-20-12-21-10-15/h5-13,23H,1-4H3
InChIKeyFTOZTVWOMJAMSJ-UHFFFAOYSA-N
XLogP4.60
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-propylpyrazol-4-amine
CID 86791923
5-tert-butyl-2-propan-2-yl-1,3-oxazole
CID 23571128
5-tert-butyl-2-[(1R)-1-chloroethyl]-1,3-oxazole
CID 93105065
5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2,5-diamine
CID 106387732
N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)pyrazol-3-amine
CID 71857427
5-tert-butyl-2-[1-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3-oxazole
CID 71918132
5-tert-butyl-2-(4-tert-butylphenyl)-1,3-oxazole
CID 101479492
5-tert-butyl-2-[1-(2-fluorophenyl)sulfonylethyl]-1,3-oxazole
CID 126787212
4-tert-butyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]aniline
CID 103930885
5-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-3-amine
CID 106544957
N-[1-(3-methylpyrazin-2-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline
CID 102613250
N-methyl-1-[5-(2-methylsulfonylpropan-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 65181793

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-4-pyrimidin-5-ylaniline?
The IUPAC name of N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-4-pyrimidin-5-ylaniline (CID 84585568) is N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-4-pyrimidin-5-ylaniline.
What is the SMILES notation for N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-4-pyrimidin-5-ylaniline?
The canonical SMILES for N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-4-pyrimidin-5-ylaniline is CC(Nc1ccc(-c2cncnc2)cc1)c1ncc(C(C)(C)C)o1.
What is the InChIKey of N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-4-pyrimidin-5-ylaniline?
The InChIKey is FTOZTVWOMJAMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13(18-22-11-17(24-18)19(2,3)4)23-16-7-5-14(6-8-16)15-9-20-12-21-10-15/h5-13,23H,1-4H3.
What are the key properties of N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-4-pyrimidin-5-ylaniline?
N-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]-4-pyrimidin-5-ylaniline has a molecular weight of 322.41 g/mol, XLogP of 4.60, 4 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]-4-pyrimidin-5-ylaniline is sourced from PubChem (CID 84585568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).