N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(1,2-oxazol-5-yl)propanamide

C18H23N5O3 — CID 110239205

IUPACN-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(1,2-oxazol-5-yl)propanamide
SMILESO=C(CCc1ccno1)NC1CCCN(c2ncc3c(n2)CCOC3)C1
InChIInChI=1S/C18H23N5O3/c24-17(4-3-15-5-7-20-26-15)21-14-2-1-8-23(11-14)18-19-10-13-12-25-9-6-16(13)22-18/h5,7,10,14H,1-4,6,8-9,11-12H2,(H,21,24)
InChIKeyNVSOSTASNMDKCO-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.26
Rot. Bonds5

About N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(1,2-oxazol-5-yl)propanamide

N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(1,2-oxazol-5-yl)propanamide (PubChem CID 110239205) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(1,2-oxazol-5-yl)propanamide
PubChem CID110239205
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(1,2-oxazol-5-yl)propanamide
SMILESO=C(CCc1ccno1)NC1CCCN(c2ncc3c(n2)CCOC3)C1
InChIInChI=1S/C18H23N5O3/c24-17(4-3-15-5-7-20-26-15)21-14-2-1-8-23(11-14)18-19-10-13-12-25-9-6-16(13)22-18/h5,7,10,14H,1-4,6,8-9,11-12H2,(H,21,24)
InChIKeyNVSOSTASNMDKCO-UHFFFAOYSA-N
XLogP1.26
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(1,2-oxazol-5-yl)propanamide?
The IUPAC name of N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(1,2-oxazol-5-yl)propanamide (CID 110239205) is N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(1,2-oxazol-5-yl)propanamide?
The canonical SMILES for N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(1,2-oxazol-5-yl)propanamide is O=C(CCc1ccno1)NC1CCCN(c2ncc3c(n2)CCOC3)C1.
What is the InChIKey of N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(1,2-oxazol-5-yl)propanamide?
The InChIKey is NVSOSTASNMDKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c24-17(4-3-15-5-7-20-26-15)21-14-2-1-8-23(11-14)18-19-10-13-12-25-9-6-16(13)22-18/h5,7,10,14H,1-4,6,8-9,11-12H2,(H,21,24).
What are the key properties of N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(1,2-oxazol-5-yl)propanamide?
N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(1,2-oxazol-5-yl)propanamide has a molecular weight of 357.41 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 110239205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).