3-(1,2-oxazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea

C16H20N4O3 — CID 119066058

IUPAC3-(1,2-oxazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
SMILESO=C(NCc1ccon1)N(Cc1ccccn1)CC1CCCO1
InChIInChI=1S/C16H20N4O3/c21-16(18-10-13-6-9-23-19-13)20(12-15-5-3-8-22-15)11-14-4-1-2-7-17-14/h1-2,4,6-7,9,15H,3,5,8,10-12H2,(H,18,21)
InChIKeyPVIPCXKBVHQXRZ-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.96
Rot. Bonds6

About 3-(1,2-oxazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea

3-(1,2-oxazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea (PubChem CID 119066058) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-(1,2-oxazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(1,2-oxazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
PubChem CID119066058
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name3-(1,2-oxazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
SMILESO=C(NCc1ccon1)N(Cc1ccccn1)CC1CCCO1
InChIInChI=1S/C16H20N4O3/c21-16(18-10-13-6-9-23-19-13)20(12-15-5-3-8-22-15)11-14-4-1-2-7-17-14/h1-2,4,6-7,9,15H,3,5,8,10-12H2,(H,18,21)
InChIKeyPVIPCXKBVHQXRZ-UHFFFAOYSA-N
XLogP1.96
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-chlorophenyl)methyl]-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 121499245
3-(1,2-oxazol-3-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]urea
CID 126432973
2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 95129192
3-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)thiourea
CID 17369668
3-[2-(1,3,4-oxadiazol-2-yl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)urea
CID 97434919
N-(oxolan-2-ylmethyl)-2-(prop-2-enylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 50984302
6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide
CID 99953564
2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 95149228
2-[3-[oxolan-2-ylmethyl(pyridin-2-ylmethyl)carbamoyl]anilino]acetic acid
CID 46988637
3-(2-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92613662
2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 47000481
3-(2-methylbenzotriazol-4-yl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)urea
CID 125168244

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 3-(1,2-oxazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea (CID 119066058) is 3-(1,2-oxazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 3-(1,2-oxazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 3-(1,2-oxazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea is O=C(NCc1ccon1)N(Cc1ccccn1)CC1CCCO1.
What is the InChIKey of 3-(1,2-oxazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea?
The InChIKey is PVIPCXKBVHQXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-16(18-10-13-6-9-23-19-13)20(12-15-5-3-8-22-15)11-14-4-1-2-7-17-14/h1-2,4,6-7,9,15H,3,5,8,10-12H2,(H,18,21).
What are the key properties of 3-(1,2-oxazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea?
3-(1,2-oxazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea has a molecular weight of 316.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 119066058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).