N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C17H20FN5O3 — CID 90634417

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1cc2n(n1)CCCO2
InChIInChI=1S/C17H20FN5O3/c18-11-9-19-17(20-10-11)26-13-4-2-12(3-5-13)21-16(24)14-8-15-23(22-14)6-1-7-25-15/h8-10,12-13H,1-7H2,(H,21,24)
InChIKeyIMTCMXQKSOURHE-UHFFFAOYSA-N
MW361.38 g/mol
LogP1.71
Rot. Bonds4

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 90634417) has the molecular formula C17H20FN5O3 and a molecular weight of 361.38 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID90634417
Molecular FormulaC17H20FN5O3
Molecular Weight361.38 g/mol
Exact Mass361.16
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1cc2n(n1)CCCO2
InChIInChI=1S/C17H20FN5O3/c18-11-9-19-17(20-10-11)26-13-4-2-12(3-5-13)21-16(24)14-8-15-23(22-14)6-1-7-25-15/h8-10,12-13H,1-7H2,(H,21,24)
InChIKeyIMTCMXQKSOURHE-UHFFFAOYSA-N
XLogP1.71
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide with MolForge

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Related Compounds

[4-(4-Ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 53584858
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(4-(pyrimidin-2-yl)piperazin-1-yl)methanone
CID 71789358
N-(3-(1H-imidazol-1-yl)propyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789303
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(3-((5-fluoropyrimidin-2-yl)oxy)pyrrolidin-1-yl)methanone
CID 121017651
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(4-((2-methylpyrimidin-4-yl)oxy)piperidin-1-yl)methanone
CID 121162698
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(3-((5-fluoropyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122258548
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(3-((4-(trifluoromethyl)pyrimidin-2-yl)oxy)piperidin-1-yl)methanone
CID 122267772
N-(1-{5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-2-carbonyl}piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889610
N-cyclopropyl-N-(1-{5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-2-carbonyl}piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890793
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 129513379
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 129513380
6-(difluoromethyl)-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)pyrimidine-4-carboxamide
CID 136565233

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 90634417) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is O=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1cc2n(n1)CCCO2.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is IMTCMXQKSOURHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O3/c18-11-9-19-17(20-10-11)26-13-4-2-12(3-5-13)21-16(24)14-8-15-23(22-14)6-1-7-25-15/h8-10,12-13H,1-7H2,(H,21,24).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 361.38 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 90634417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).