1-[[3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-3-propan-2-ylurea

C20H34N4O4 — CID 162798696

IUPAC1-[[3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC1OC(Cc2cc(CN3CCCCC3)on2)CCC1O
InChIInChI=1S/C20H34N4O4/c1-14(2)22-20(26)21-12-19-18(25)7-6-16(27-19)10-15-11-17(28-23-15)13-24-8-4-3-5-9-24/h11,14,16,18-19,25H,3-10,12-13H2,1-2H3,(H2,21,22,26)
InChIKeyWPGUCWDYRGJHEY-UHFFFAOYSA-N
MW394.52 g/mol
LogP1.82
Rot. Bonds7

About 1-[[3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-3-propan-2-ylurea

1-[[3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-3-propan-2-ylurea (PubChem CID 162798696) has the molecular formula C20H34N4O4 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[[3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-3-propan-2-ylurea
PubChem CID162798696
Molecular FormulaC20H34N4O4
Molecular Weight394.52 g/mol
Exact Mass394.26
IUPAC Name1-[[3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC1OC(Cc2cc(CN3CCCCC3)on2)CCC1O
InChIInChI=1S/C20H34N4O4/c1-14(2)22-20(26)21-12-19-18(25)7-6-16(27-19)10-15-11-17(28-23-15)13-24-8-4-3-5-9-24/h11,14,16,18-19,25H,3-10,12-13H2,1-2H3,(H2,21,22,26)
InChIKeyWPGUCWDYRGJHEY-UHFFFAOYSA-N
XLogP1.82
TPSA99.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[[3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-3-propan-2-ylurea (CID 162798696) is 1-[[3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[[3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[[3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-3-propan-2-ylurea is CC(C)NC(=O)NCC1OC(Cc2cc(CN3CCCCC3)on2)CCC1O.
What is the InChIKey of 1-[[3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-3-propan-2-ylurea?
The InChIKey is WPGUCWDYRGJHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O4/c1-14(2)22-20(26)21-12-19-18(25)7-6-16(27-19)10-15-11-17(28-23-15)13-24-8-4-3-5-9-24/h11,14,16,18-19,25H,3-10,12-13H2,1-2H3,(H2,21,22,26).
What are the key properties of 1-[[3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-3-propan-2-ylurea?
1-[[3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-3-propan-2-ylurea has a molecular weight of 394.52 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-hydroxy-6-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methyl]-3-propan-2-ylurea is sourced from PubChem (CID 162798696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).