N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenyl-5-propan-2-ylpyrazol-4-amine

C17H20N4O — CID 99837227

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenyl-5-propan-2-ylpyrazol-4-amine
SMILESCc1cnc(CNc2cnn(-c3ccccc3)c2C(C)C)o1
InChIInChI=1S/C17H20N4O/c1-12(2)17-15(18-11-16-19-9-13(3)22-16)10-20-21(17)14-7-5-4-6-8-14/h4-10,12,18H,11H2,1-3H3
InChIKeyOTRKNMMNZSCWIB-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.90
Rot. Bonds5

About N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenyl-5-propan-2-ylpyrazol-4-amine

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenyl-5-propan-2-ylpyrazol-4-amine (PubChem CID 99837227) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenyl-5-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenyl-5-propan-2-ylpyrazol-4-amine
PubChem CID99837227
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenyl-5-propan-2-ylpyrazol-4-amine
SMILESCc1cnc(CNc2cnn(-c3ccccc3)c2C(C)C)o1
InChIInChI=1S/C17H20N4O/c1-12(2)17-15(18-11-16-19-9-13(3)22-16)10-20-21(17)14-7-5-4-6-8-14/h4-10,12,18H,11H2,1-3H3
InChIKeyOTRKNMMNZSCWIB-UHFFFAOYSA-N
XLogP3.90
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenyl-5-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenyl-5-propan-2-ylpyrazol-4-amine (CID 99837227) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenyl-5-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenyl-5-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenyl-5-propan-2-ylpyrazol-4-amine is Cc1cnc(CNc2cnn(-c3ccccc3)c2C(C)C)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenyl-5-propan-2-ylpyrazol-4-amine?
The InChIKey is OTRKNMMNZSCWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12(2)17-15(18-11-16-19-9-13(3)22-16)10-20-21(17)14-7-5-4-6-8-14/h4-10,12,18H,11H2,1-3H3.
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenyl-5-propan-2-ylpyrazol-4-amine?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenyl-5-propan-2-ylpyrazol-4-amine has a molecular weight of 296.37 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenyl-5-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 99837227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).