N-[2-methyl-5-(2-morpholin-4-ylethoxy)phenyl]-5-(4-pyrazol-1-ylphenyl)-1,3-oxazol-2-amine

C25H27N5O3 — CID 122444638

IUPACN-[2-methyl-5-(2-morpholin-4-ylethoxy)phenyl]-5-(4-pyrazol-1-ylphenyl)-1,3-oxazol-2-amine
SMILESCc1ccc(OCCN2CCOCC2)cc1Nc1ncc(-c2ccc(-n3cccn3)cc2)o1
InChIInChI=1S/C25H27N5O3/c1-19-3-8-22(32-16-13-29-11-14-31-15-12-29)17-23(19)28-25-26-18-24(33-25)20-4-6-21(7-5-20)30-10-2-9-27-30/h2-10,17-18H,11-16H2,1H3,(H,26,28)
InChIKeyPJYYCUOWUUOHEC-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.29
Rot. Bonds8

About N-[2-methyl-5-(2-morpholin-4-ylethoxy)phenyl]-5-(4-pyrazol-1-ylphenyl)-1,3-oxazol-2-amine

N-[2-methyl-5-(2-morpholin-4-ylethoxy)phenyl]-5-(4-pyrazol-1-ylphenyl)-1,3-oxazol-2-amine (PubChem CID 122444638) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[2-methyl-5-(2-morpholin-4-ylethoxy)phenyl]-5-(4-pyrazol-1-ylphenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[2-methyl-5-(2-morpholin-4-ylethoxy)phenyl]-5-(4-pyrazol-1-ylphenyl)-1,3-oxazol-2-amine
PubChem CID122444638
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC NameN-[2-methyl-5-(2-morpholin-4-ylethoxy)phenyl]-5-(4-pyrazol-1-ylphenyl)-1,3-oxazol-2-amine
SMILESCc1ccc(OCCN2CCOCC2)cc1Nc1ncc(-c2ccc(-n3cccn3)cc2)o1
InChIInChI=1S/C25H27N5O3/c1-19-3-8-22(32-16-13-29-11-14-31-15-12-29)17-23(19)28-25-26-18-24(33-25)20-4-6-21(7-5-20)30-10-2-9-27-30/h2-10,17-18H,11-16H2,1H3,(H,26,28)
InChIKeyPJYYCUOWUUOHEC-UHFFFAOYSA-N
XLogP4.29
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(2-morpholin-4-ylethoxy)phenyl]-5-(4-pyrazol-1-ylphenyl)-1,3-oxazol-2-amine?
The IUPAC name of N-[2-methyl-5-(2-morpholin-4-ylethoxy)phenyl]-5-(4-pyrazol-1-ylphenyl)-1,3-oxazol-2-amine (CID 122444638) is N-[2-methyl-5-(2-morpholin-4-ylethoxy)phenyl]-5-(4-pyrazol-1-ylphenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for N-[2-methyl-5-(2-morpholin-4-ylethoxy)phenyl]-5-(4-pyrazol-1-ylphenyl)-1,3-oxazol-2-amine?
The canonical SMILES for N-[2-methyl-5-(2-morpholin-4-ylethoxy)phenyl]-5-(4-pyrazol-1-ylphenyl)-1,3-oxazol-2-amine is Cc1ccc(OCCN2CCOCC2)cc1Nc1ncc(-c2ccc(-n3cccn3)cc2)o1.
What is the InChIKey of N-[2-methyl-5-(2-morpholin-4-ylethoxy)phenyl]-5-(4-pyrazol-1-ylphenyl)-1,3-oxazol-2-amine?
The InChIKey is PJYYCUOWUUOHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-19-3-8-22(32-16-13-29-11-14-31-15-12-29)17-23(19)28-25-26-18-24(33-25)20-4-6-21(7-5-20)30-10-2-9-27-30/h2-10,17-18H,11-16H2,1H3,(H,26,28).
What are the key properties of N-[2-methyl-5-(2-morpholin-4-ylethoxy)phenyl]-5-(4-pyrazol-1-ylphenyl)-1,3-oxazol-2-amine?
N-[2-methyl-5-(2-morpholin-4-ylethoxy)phenyl]-5-(4-pyrazol-1-ylphenyl)-1,3-oxazol-2-amine has a molecular weight of 445.52 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(2-morpholin-4-ylethoxy)phenyl]-5-(4-pyrazol-1-ylphenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 122444638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).