4-[3-[(5-fluoro-2-pyridinyl)methyl]-2,1-benzoxazol-5-yl]-6-methylpyrimidin-2-amine

C18H14FN5O — CID 10065517

IUPAC4-[3-[(5-fluoro-2-pyridinyl)methyl]-2,1-benzoxazol-5-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(-c2ccc3noc(Cc4ccc(F)cn4)c3c2)nc(N)n1
InChIInChI=1S/C18H14FN5O/c1-10-6-16(23-18(20)22-10)11-2-5-15-14(7-11)17(25-24-15)8-13-4-3-12(19)9-21-13/h2-7,9H,8H2,1H3,(H2,20,22,23)
InChIKeyDOVQRHZNPKJTHF-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.30
Rot. Bonds3

About 4-[3-[(5-fluoro-2-pyridinyl)methyl]-2,1-benzoxazol-5-yl]-6-methylpyrimidin-2-amine

4-[3-[(5-fluoro-2-pyridinyl)methyl]-2,1-benzoxazol-5-yl]-6-methylpyrimidin-2-amine (PubChem CID 10065517) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 4-[3-[(5-fluoro-2-pyridinyl)methyl]-2,1-benzoxazol-5-yl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-[(5-fluoro-2-pyridinyl)methyl]-2,1-benzoxazol-5-yl]-6-methylpyrimidin-2-amine
PubChem CID10065517
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name4-[3-[(5-fluoro-2-pyridinyl)methyl]-2,1-benzoxazol-5-yl]-6-methylpyrimidin-2-amine
SMILESCc1cc(-c2ccc3noc(Cc4ccc(F)cn4)c3c2)nc(N)n1
InChIInChI=1S/C18H14FN5O/c1-10-6-16(23-18(20)22-10)11-2-5-15-14(7-11)17(25-24-15)8-13-4-3-12(19)9-21-13/h2-7,9H,8H2,1H3,(H2,20,22,23)
InChIKeyDOVQRHZNPKJTHF-UHFFFAOYSA-N
XLogP3.30
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(4-Chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine
CID 2765355
4-(5-Methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine
CID 2745721
N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide
CID 11625524
CID 139339317
CID 139339317
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide
CID 2745748
3-(4-Fluorophenyl)-5-(phenylacetylamino)-4-(4-pyrimidinyl)isoxazole
CID 57467724
5-Amino-3-(4-fluorophenyl)-4-(4-pyrimidinyl)isoxazole
CID 57467725
2-(2-fluorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67197758
N-[3-(2,6-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
CID 67198791
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]quinazolin-4-amine
CID 129165803
3-[4-(Pyrimidine-4-carbonylamino)phenyl]-2,1-benzoxazole-5-carboxylic acid
CID 168280639
4-[1-(4-Fluorophenyl)-2-methylimidazo[4,5-c]quinolin-8-yl]-3,5-dimethyl-1,2-oxazole
CID 168281528

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(5-fluoro-2-pyridinyl)methyl]-2,1-benzoxazol-5-yl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[3-[(5-fluoro-2-pyridinyl)methyl]-2,1-benzoxazol-5-yl]-6-methylpyrimidin-2-amine (CID 10065517) is 4-[3-[(5-fluoro-2-pyridinyl)methyl]-2,1-benzoxazol-5-yl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[3-[(5-fluoro-2-pyridinyl)methyl]-2,1-benzoxazol-5-yl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[3-[(5-fluoro-2-pyridinyl)methyl]-2,1-benzoxazol-5-yl]-6-methylpyrimidin-2-amine is Cc1cc(-c2ccc3noc(Cc4ccc(F)cn4)c3c2)nc(N)n1.
What is the InChIKey of 4-[3-[(5-fluoro-2-pyridinyl)methyl]-2,1-benzoxazol-5-yl]-6-methylpyrimidin-2-amine?
The InChIKey is DOVQRHZNPKJTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c1-10-6-16(23-18(20)22-10)11-2-5-15-14(7-11)17(25-24-15)8-13-4-3-12(19)9-21-13/h2-7,9H,8H2,1H3,(H2,20,22,23).
What are the key properties of 4-[3-[(5-fluoro-2-pyridinyl)methyl]-2,1-benzoxazol-5-yl]-6-methylpyrimidin-2-amine?
4-[3-[(5-fluoro-2-pyridinyl)methyl]-2,1-benzoxazol-5-yl]-6-methylpyrimidin-2-amine has a molecular weight of 335.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(5-fluoro-2-pyridinyl)methyl]-2,1-benzoxazol-5-yl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 10065517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).