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

C16H26N4O4 — CID 129340058

IUPAC1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
SMILESCOC[C@H](NC(=O)N[C@H](c1nc(C)no1)C1CCOCC1)C1CC1
InChIInChI=1S/C16H26N4O4/c1-10-17-15(24-20-10)14(12-5-7-23-8-6-12)19-16(21)18-13(9-22-2)11-3-4-11/h11-14H,3-9H2,1-2H3,(H2,18,19,21)/t13-,14-/m0/s1
InChIKeyWUDQHECKLFRRTN-KBPBESRZSA-N
MW338.41 g/mol
LogP1.57
Rot. Bonds7

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

1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea (PubChem CID 129340058) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
PubChem CID129340058
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Name1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
SMILESCOC[C@H](NC(=O)N[C@H](c1nc(C)no1)C1CCOCC1)C1CC1
InChIInChI=1S/C16H26N4O4/c1-10-17-15(24-20-10)14(12-5-7-23-8-6-12)19-16(21)18-13(9-22-2)11-3-4-11/h11-14H,3-9H2,1-2H3,(H2,18,19,21)/t13-,14-/m0/s1
InChIKeyWUDQHECKLFRRTN-KBPBESRZSA-N
XLogP1.57
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
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-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea?
The IUPAC name of 1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea (CID 129340058) is 1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea.
What is the SMILES notation for 1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea?
The canonical SMILES for 1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea is COC[C@H](NC(=O)N[C@H](c1nc(C)no1)C1CCOCC1)C1CC1.
What is the InChIKey of 1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea?
The InChIKey is WUDQHECKLFRRTN-KBPBESRZSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-10-17-15(24-20-10)14(12-5-7-23-8-6-12)19-16(21)18-13(9-22-2)11-3-4-11/h11-14H,3-9H2,1-2H3,(H2,18,19,21)/t13-,14-/m0/s1.
What are the key properties of 1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea?
1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea has a molecular weight of 338.41 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-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea is sourced from PubChem (CID 129340058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).