N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]oxolane-3-carboxamide

C15H20FN3O3 — CID 91626422

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]oxolane-3-carboxamide
SMILESO=C(NC1CCC(Oc2ncc(F)cn2)CC1)C1CCOC1
InChIInChI=1S/C15H20FN3O3/c16-11-7-17-15(18-8-11)22-13-3-1-12(2-4-13)19-14(20)10-5-6-21-9-10/h7-8,10,12-13H,1-6,9H2,(H,19,20)
InChIKeySFCBNLKTTLBOND-UHFFFAOYSA-N
MW309.34 g/mol
LogP1.46
Rot. Bonds4

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]oxolane-3-carboxamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]oxolane-3-carboxamide (PubChem CID 91626422) has the molecular formula C15H20FN3O3 and a molecular weight of 309.34 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]oxolane-3-carboxamide
PubChem CID91626422
Molecular FormulaC15H20FN3O3
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]oxolane-3-carboxamide
SMILESO=C(NC1CCC(Oc2ncc(F)cn2)CC1)C1CCOC1
InChIInChI=1S/C15H20FN3O3/c16-11-7-17-15(18-8-11)22-13-3-1-12(2-4-13)19-14(20)10-5-6-21-9-10/h7-8,10,12-13H,1-6,9H2,(H,19,20)
InChIKeySFCBNLKTTLBOND-UHFFFAOYSA-N
XLogP1.46
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]oxolane-3-carboxamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]oxolane-3-carboxamide (CID 91626422) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]oxolane-3-carboxamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]oxolane-3-carboxamide is O=C(NC1CCC(Oc2ncc(F)cn2)CC1)C1CCOC1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]oxolane-3-carboxamide?
The InChIKey is SFCBNLKTTLBOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3/c16-11-7-17-15(18-8-11)22-13-3-1-12(2-4-13)19-14(20)10-5-6-21-9-10/h7-8,10,12-13H,1-6,9H2,(H,19,20).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]oxolane-3-carboxamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]oxolane-3-carboxamide has a molecular weight of 309.34 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]oxolane-3-carboxamide is sourced from PubChem (CID 91626422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).