N-cyclohexyl-4-(5-fluoro-1,2-benzoxazol-3-yl)pyrimidin-2-amine

C17H17FN4O — CID 143687453

IUPACN-cyclohexyl-4-(5-fluoro-1,2-benzoxazol-3-yl)pyrimidin-2-amine
SMILESFc1ccc2onc(-c3ccnc(NC4CCCCC4)n3)c2c1
InChIInChI=1S/C17H17FN4O/c18-11-6-7-15-13(10-11)16(22-23-15)14-8-9-19-17(21-14)20-12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,19,20,21)
InChIKeyQGHZVPKVIQIEQB-UHFFFAOYSA-N
MW312.35 g/mol
LogP4.17
Rot. Bonds3

About N-cyclohexyl-4-(5-fluoro-1,2-benzoxazol-3-yl)pyrimidin-2-amine

N-cyclohexyl-4-(5-fluoro-1,2-benzoxazol-3-yl)pyrimidin-2-amine (PubChem CID 143687453) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is N-cyclohexyl-4-(5-fluoro-1,2-benzoxazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-(5-fluoro-1,2-benzoxazol-3-yl)pyrimidin-2-amine
PubChem CID143687453
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC NameN-cyclohexyl-4-(5-fluoro-1,2-benzoxazol-3-yl)pyrimidin-2-amine
SMILESFc1ccc2onc(-c3ccnc(NC4CCCCC4)n3)c2c1
InChIInChI=1S/C17H17FN4O/c18-11-6-7-15-13(10-11)16(22-23-15)14-8-9-19-17(21-14)20-12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,19,20,21)
InChIKeyQGHZVPKVIQIEQB-UHFFFAOYSA-N
XLogP4.17
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Canverixin
CID 139360137
4-(5-Methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine
CID 2745721
N-[(3S,4S)-1-(cyclobutylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678076
N-[(3S,4S)-1-cyclohexyl-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678177
3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971417
3-(3,5-dimethylphenyl)-N-[(1S)-1-phenylethyl]pyrido[4,3-d][1,2]oxazol-5-amine
CID 24971419
Trans-4-{[4-(5-Methyl-3-Phenyl-1,2-Oxazol-4-Yl)pyrimidin-2-Yl]amino}cyclohexanol
CID 60138177
N1-[4-(3-phenylisoxazol-5-yl)pyrimidin-2-yl]acetamide
CID 2745719
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide
CID 2745748
2-Pyrimidinamine, N-cyclohexyl-4-[3-phenyl-5-(1-piperidinylmethyl)-4-isoxazolyl]-
CID 10093433
3-(4-Fluorophenyl)-5-(phenylacetylamino)-4-(4-pyrimidinyl)isoxazole
CID 57467724
2-(2-fluorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67197758

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(5-fluoro-1,2-benzoxazol-3-yl)pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-4-(5-fluoro-1,2-benzoxazol-3-yl)pyrimidin-2-amine (CID 143687453) is N-cyclohexyl-4-(5-fluoro-1,2-benzoxazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-(5-fluoro-1,2-benzoxazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-4-(5-fluoro-1,2-benzoxazol-3-yl)pyrimidin-2-amine is Fc1ccc2onc(-c3ccnc(NC4CCCCC4)n3)c2c1.
What is the InChIKey of N-cyclohexyl-4-(5-fluoro-1,2-benzoxazol-3-yl)pyrimidin-2-amine?
The InChIKey is QGHZVPKVIQIEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c18-11-6-7-15-13(10-11)16(22-23-15)14-8-9-19-17(21-14)20-12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,19,20,21).
What are the key properties of N-cyclohexyl-4-(5-fluoro-1,2-benzoxazol-3-yl)pyrimidin-2-amine?
N-cyclohexyl-4-(5-fluoro-1,2-benzoxazol-3-yl)pyrimidin-2-amine has a molecular weight of 312.35 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(5-fluoro-1,2-benzoxazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 143687453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).