N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide

C14H16N4O3 — CID 124939962

IUPACN-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccnc([C@H]2CCCOC2)n1)c1ccno1
InChIInChI=1S/C14H16N4O3/c19-14(12-4-6-17-21-12)16-8-11-3-5-15-13(18-11)10-2-1-7-20-9-10/h3-6,10H,1-2,7-9H2,(H,16,19)/t10-/m0/s1
InChIKeyACXCMFUGOSOGKS-JTQLQIEISA-N
MW288.31 g/mol
LogP1.29
Rot. Bonds4

About N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide

N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 124939962) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID124939962
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccnc([C@H]2CCCOC2)n1)c1ccno1
InChIInChI=1S/C14H16N4O3/c19-14(12-4-6-17-21-12)16-8-11-3-5-15-13(18-11)10-2-1-7-20-9-10/h3-6,10H,1-2,7-9H2,(H,16,19)/t10-/m0/s1
InChIKeyACXCMFUGOSOGKS-JTQLQIEISA-N
XLogP1.29
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide (CID 124939962) is N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide is O=C(NCc1ccnc([C@H]2CCCOC2)n1)c1ccno1.
What is the InChIKey of N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is ACXCMFUGOSOGKS-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N4O3/c19-14(12-4-6-17-21-12)16-8-11-3-5-15-13(18-11)10-2-1-7-20-9-10/h3-6,10H,1-2,7-9H2,(H,16,19)/t10-/m0/s1.
What are the key properties of N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3R)-oxan-3-yl]pyrimidin-4-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 124939962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).