1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea

C19H26N4O3 — CID 100676870

IUPAC1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESO=C(NCC1CCN(c2nc3ccccc3o2)CC1)NC[C@H]1CCCO1
InChIInChI=1S/C19H26N4O3/c24-18(21-13-15-4-3-11-25-15)20-12-14-7-9-23(10-8-14)19-22-16-5-1-2-6-17(16)26-19/h1-2,5-6,14-15H,3-4,7-13H2,(H2,20,21,24)/t15-/m1/s1
InChIKeyMWLBHVLXLAZVHV-OAHLLOKOSA-N
MW358.44 g/mol
LogP2.52
Rot. Bonds5

About 1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea

1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea (PubChem CID 100676870) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
PubChem CID100676870
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESO=C(NCC1CCN(c2nc3ccccc3o2)CC1)NC[C@H]1CCCO1
InChIInChI=1S/C19H26N4O3/c24-18(21-13-15-4-3-11-25-15)20-12-14-7-9-23(10-8-14)19-22-16-5-1-2-6-17(16)26-19/h1-2,5-6,14-15H,3-4,7-13H2,(H2,20,21,24)/t15-/m1/s1
InChIKeyMWLBHVLXLAZVHV-OAHLLOKOSA-N
XLogP2.52
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea with MolForge

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Related Compounds

1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-propan-2-ylurea
CID 121109518
1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-benzylurea
CID 121109523
1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-[(4-fluorophenyl)methyl]urea
CID 121109534
1-(oxolan-2-ylmethyl)-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]urea
CID 91812788
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]butanamide
CID 121109371
1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-(3,4-dichlorophenyl)urea
CID 121109546
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-N'-(2-methylpropyl)oxamide
CID 121107967
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-N'-[(4-chlorophenyl)methyl]oxamide
CID 121108011
1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 45181110
1-[[(2R)-oxolan-2-yl]methyl]-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 100678446
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzamide
CID 121109401
1-(6-chloro-1,3-benzoxazol-2-yl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 154569216

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea (CID 100676870) is 1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea is O=C(NCC1CCN(c2nc3ccccc3o2)CC1)NC[C@H]1CCCO1.
What is the InChIKey of 1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
The InChIKey is MWLBHVLXLAZVHV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N4O3/c24-18(21-13-15-4-3-11-25-15)20-12-14-7-9-23(10-8-14)19-22-16-5-1-2-6-17(16)26-19/h1-2,5-6,14-15H,3-4,7-13H2,(H2,20,21,24)/t15-/m1/s1.
What are the key properties of 1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea?
1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea has a molecular weight of 358.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 100676870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).