2-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-4-amine

C16H13F2N5O — CID 56744639

IUPAC2-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-4-amine
SMILESNc1ccnc(N2CCc3onc(-c4ccc(F)c(F)c4)c3C2)n1
InChIInChI=1S/C16H13F2N5O/c17-11-2-1-9(7-12(11)18)15-10-8-23(6-4-13(10)24-22-15)16-20-5-3-14(19)21-16/h1-3,5,7H,4,6,8H2,(H2,19,20,21)
InChIKeySFEQVTJVYJQGNQ-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.55
Rot. Bonds2

About 2-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-4-amine

2-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-4-amine (PubChem CID 56744639) has the molecular formula C16H13F2N5O and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-4-amine
PubChem CID56744639
Molecular FormulaC16H13F2N5O
Molecular Weight329.31 g/mol
Exact Mass329.11
IUPAC Name2-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-4-amine
SMILESNc1ccnc(N2CCc3onc(-c4ccc(F)c(F)c4)c3C2)n1
InChIInChI=1S/C16H13F2N5O/c17-11-2-1-9(7-12(11)18)15-10-8-23(6-4-13(10)24-22-15)16-20-5-3-14(19)21-16/h1-3,5,7H,4,6,8H2,(H2,19,20,21)
InChIKeySFEQVTJVYJQGNQ-UHFFFAOYSA-N
XLogP2.55
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-Methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine
CID 2745721
4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine;hydrochloride
CID 166632650
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide
CID 2745748
1-(4-(4-Aminoisoxazolo[5,4-d]pyrimidin-3-yl)phenyl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea
CID 10025788
2-Pyrimidinamine, N-cyclohexyl-4-[3-phenyl-5-(1-piperidinylmethyl)-4-isoxazolyl]-
CID 10093433
1-(4-(4-Aminoisoxazolo[5,4-d]pyrimidin-3-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 10409523
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
N-tert-butyl-2-(4-(3,5-dimethylisoxazol-4-yl)phenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 117841270
5-(2,4-difluorophenyl)-N-[(3S,4S)-1-(3-fluoropropyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 141677922

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-4-amine?
The IUPAC name of 2-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-4-amine (CID 56744639) is 2-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-4-amine is Nc1ccnc(N2CCc3onc(-c4ccc(F)c(F)c4)c3C2)n1.
What is the InChIKey of 2-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-4-amine?
The InChIKey is SFEQVTJVYJQGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O/c17-11-2-1-9(7-12(11)18)15-10-8-23(6-4-13(10)24-22-15)16-20-5-3-14(19)21-16/h1-3,5,7H,4,6,8H2,(H2,19,20,21).
What are the key properties of 2-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-4-amine?
2-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-4-amine has a molecular weight of 329.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]pyrimidin-4-amine is sourced from PubChem (CID 56744639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).