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

C17H22N4O3 — CID 110117756

IUPACN-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCc2cnc(C3CCCCO3)nc2)no1
InChIInChI=1S/C17H22N4O3/c1-2-5-13-8-14(21-24-13)17(22)20-11-12-9-18-16(19-10-12)15-6-3-4-7-23-15/h8-10,15H,2-7,11H2,1H3,(H,20,22)
InChIKeyZQRHJKWVJQLDDR-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.59
Rot. Bonds6

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

N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 110117756) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID110117756
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCc2cnc(C3CCCCO3)nc2)no1
InChIInChI=1S/C17H22N4O3/c1-2-5-13-8-14(21-24-13)17(22)20-11-12-9-18-16(19-10-12)15-6-3-4-7-23-15/h8-10,15H,2-7,11H2,1H3,(H,20,22)
InChIKeyZQRHJKWVJQLDDR-UHFFFAOYSA-N
XLogP2.59
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide
CID 110117708
5-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazine-2-carboxamide
CID 124956730
N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 124998741
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1-propylpyrazole-3-carboxamide
CID 125024972
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124955120
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide
CID 124973943
4-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-oxazole-5-carboxamide
CID 124977574
4-(methoxymethyl)-5-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide
CID 124961244
4-[(dimethylamino)methyl]-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 124945377
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124954332
4-[(dimethylamino)methyl]-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]benzamide
CID 110117770
4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
CID 125023729

Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide (CID 110117756) is N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)NCc2cnc(C3CCCCO3)nc2)no1.
What is the InChIKey of N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZQRHJKWVJQLDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-2-5-13-8-14(21-24-13)17(22)20-11-12-9-18-16(19-10-12)15-6-3-4-7-23-15/h8-10,15H,2-7,11H2,1H3,(H,20,22).
What are the key properties of N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide?
N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110117756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).