N'-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]ethane-1,2-diamine

C19H18FN7O — CID 118233466

IUPACN'-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)nc1
InChIInChI=1S/C19H18FN7O/c20-15-4-2-1-3-13(15)12-27-18(16-5-8-28-26-16)9-17(25-27)19-23-10-14(11-24-19)22-7-6-21/h1-5,8-11,22H,6-7,12,21H2
InChIKeyUWEYEDUVRWFSNZ-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.55
Rot. Bonds7

About N'-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]ethane-1,2-diamine

N'-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 118233466) has the molecular formula C19H18FN7O and a molecular weight of 379.40 g/mol. Its IUPAC name is N'-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]ethane-1,2-diamine
PubChem CID118233466
Molecular FormulaC19H18FN7O
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC NameN'-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]ethane-1,2-diamine
SMILESNCCNc1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)nc1
InChIInChI=1S/C19H18FN7O/c20-15-4-2-1-3-13(15)12-27-18(16-5-8-28-26-16)9-17(25-27)19-23-10-14(11-24-19)22-7-6-21/h1-5,8-11,22H,6-7,12,21H2
InChIKeyUWEYEDUVRWFSNZ-UHFFFAOYSA-N
XLogP2.55
TPSA107.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]ethane-1,2-diamine (CID 118233466) is N'-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]ethane-1,2-diamine is NCCNc1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)nc1.
What is the InChIKey of N'-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]ethane-1,2-diamine?
The InChIKey is UWEYEDUVRWFSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7O/c20-15-4-2-1-3-13(15)12-27-18(16-5-8-28-26-16)9-17(25-27)19-23-10-14(11-24-19)22-7-6-21/h1-5,8-11,22H,6-7,12,21H2.
What are the key properties of N'-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]ethane-1,2-diamine?
N'-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]ethane-1,2-diamine has a molecular weight of 379.40 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 118233466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).