(6R)-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-6-(pyrimidin-2-ylmethyl)-1,4-oxazepane

C15H20N4O2 — CID 124954668

IUPAC(6R)-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-6-(pyrimidin-2-ylmethyl)-1,4-oxazepane
SMILESCc1nc(CN2CCOC[C@H](Cc3ncccn3)C2)co1
InChIInChI=1S/C15H20N4O2/c1-12-18-14(11-21-12)9-19-5-6-20-10-13(8-19)7-15-16-3-2-4-17-15/h2-4,11,13H,5-10H2,1H3/t13-/m1/s1
InChIKeyFEJLLLKHPVDWAO-CYBMUJFWSA-N
MW288.35 g/mol
LogP1.46
Rot. Bonds4

About (6R)-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-6-(pyrimidin-2-ylmethyl)-1,4-oxazepane

(6R)-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-6-(pyrimidin-2-ylmethyl)-1,4-oxazepane (PubChem CID 124954668) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (6R)-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-6-(pyrimidin-2-ylmethyl)-1,4-oxazepane.

Molecular Properties

Compound Name(6R)-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-6-(pyrimidin-2-ylmethyl)-1,4-oxazepane
PubChem CID124954668
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(6R)-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-6-(pyrimidin-2-ylmethyl)-1,4-oxazepane
SMILESCc1nc(CN2CCOC[C@H](Cc3ncccn3)C2)co1
InChIInChI=1S/C15H20N4O2/c1-12-18-14(11-21-12)9-19-5-6-20-10-13(8-19)7-15-16-3-2-4-17-15/h2-4,11,13H,5-10H2,1H3/t13-/m1/s1
InChIKeyFEJLLLKHPVDWAO-CYBMUJFWSA-N
XLogP1.46
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6R)-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-6-(pyrimidin-2-ylmethyl)-1,4-oxazepane with MolForge

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Related Compounds

N-methyl-N-propyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide
CID 56722172
1-(2-isopropylpyrimidin-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine
CID 77085993
N-(2-methylbutyl)-2-{[4-(2-pyrimidinyl)-1-piperazinyl]methyl}-1,3-oxazole-4-carboxamide
CID 45210963
4-Pyrimidin-2-yl-1,3-oxazole
CID 53926965
2-Methyl-4-pyrimidin-2-yl-1,3-oxazole
CID 58646249
2-Pentan-3-yl-4-pyrimidin-2-yl-1,3-oxazole
CID 70917843
2-(Pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide;dihydrochloride
CID 118471286
4-Methyl-2-pyrimidin-2-yl-1,3-oxazole
CID 175957886
[2-(1-Amino-2-methylpropyl)-1,3-oxazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 3850350
N-[(2R)-2-methylbutyl]-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide
CID 25298478
N-[(2S)-2-methylbutyl]-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide
CID 25298480
N-(cyclopropylmethyl)-N-propyl-2-{[4-(2-pyrimidinyl)-1-piperazinyl]methyl}-1,3-oxazole-4-carboxamide
CID 25545337

Frequently Asked Questions

What is the IUPAC name of (6R)-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-6-(pyrimidin-2-ylmethyl)-1,4-oxazepane?
The IUPAC name of (6R)-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-6-(pyrimidin-2-ylmethyl)-1,4-oxazepane (CID 124954668) is (6R)-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-6-(pyrimidin-2-ylmethyl)-1,4-oxazepane.
What is the SMILES notation for (6R)-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-6-(pyrimidin-2-ylmethyl)-1,4-oxazepane?
The canonical SMILES for (6R)-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-6-(pyrimidin-2-ylmethyl)-1,4-oxazepane is Cc1nc(CN2CCOC[C@H](Cc3ncccn3)C2)co1.
What is the InChIKey of (6R)-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-6-(pyrimidin-2-ylmethyl)-1,4-oxazepane?
The InChIKey is FEJLLLKHPVDWAO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-12-18-14(11-21-12)9-19-5-6-20-10-13(8-19)7-15-16-3-2-4-17-15/h2-4,11,13H,5-10H2,1H3/t13-/m1/s1.
What are the key properties of (6R)-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-6-(pyrimidin-2-ylmethyl)-1,4-oxazepane?
(6R)-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-6-(pyrimidin-2-ylmethyl)-1,4-oxazepane has a molecular weight of 288.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-6-(pyrimidin-2-ylmethyl)-1,4-oxazepane is sourced from PubChem (CID 124954668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).