1-[(2R)-1-methoxybutan-2-yl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea

C15H26N4O4 — CID 129328326

IUPAC1-[(2R)-1-methoxybutan-2-yl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
SMILESCC[C@H](COC)NC(=O)N[C@@H](c1nc(C)no1)C1CCOCC1
InChIInChI=1S/C15H26N4O4/c1-4-12(9-21-3)17-15(20)18-13(11-5-7-22-8-6-11)14-16-10(2)19-23-14/h11-13H,4-9H2,1-3H3,(H2,17,18,20)/t12-,13-/m1/s1
InChIKeyBAZPDSUYJPRDCV-CHWSQXEVSA-N
MW326.40 g/mol
LogP1.57
Rot. Bonds7

About 1-[(2R)-1-methoxybutan-2-yl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea

1-[(2R)-1-methoxybutan-2-yl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea (PubChem CID 129328326) has the molecular formula C15H26N4O4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[(2R)-1-methoxybutan-2-yl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(2R)-1-methoxybutan-2-yl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
PubChem CID129328326
Molecular FormulaC15H26N4O4
Molecular Weight326.40 g/mol
Exact Mass326.20
IUPAC Name1-[(2R)-1-methoxybutan-2-yl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
SMILESCC[C@H](COC)NC(=O)N[C@@H](c1nc(C)no1)C1CCOCC1
InChIInChI=1S/C15H26N4O4/c1-4-12(9-21-3)17-15(20)18-13(11-5-7-22-8-6-11)14-16-10(2)19-23-14/h11-13H,4-9H2,1-3H3,(H2,17,18,20)/t12-,13-/m1/s1
InChIKeyBAZPDSUYJPRDCV-CHWSQXEVSA-N
XLogP1.57
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-methoxybutan-2-yl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea?
The IUPAC name of 1-[(2R)-1-methoxybutan-2-yl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea (CID 129328326) is 1-[(2R)-1-methoxybutan-2-yl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea.
What is the SMILES notation for 1-[(2R)-1-methoxybutan-2-yl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea?
The canonical SMILES for 1-[(2R)-1-methoxybutan-2-yl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea is CC[C@H](COC)NC(=O)N[C@@H](c1nc(C)no1)C1CCOCC1.
What is the InChIKey of 1-[(2R)-1-methoxybutan-2-yl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea?
The InChIKey is BAZPDSUYJPRDCV-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H26N4O4/c1-4-12(9-21-3)17-15(20)18-13(11-5-7-22-8-6-11)14-16-10(2)19-23-14/h11-13H,4-9H2,1-3H3,(H2,17,18,20)/t12-,13-/m1/s1.
What are the key properties of 1-[(2R)-1-methoxybutan-2-yl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea?
1-[(2R)-1-methoxybutan-2-yl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea has a molecular weight of 326.40 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-methoxybutan-2-yl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea is sourced from PubChem (CID 129328326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).