3-[2-(1,3,4-oxadiazol-2-yl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)urea

C20H21N5O3 — CID 97434919

IUPAC3-[2-(1,3,4-oxadiazol-2-yl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)urea
SMILESO=C(Nc1ccccc1-c1nnco1)N(Cc1ccccn1)C[C@H]1CCCO1
InChIInChI=1S/C20H21N5O3/c26-20(23-18-9-2-1-8-17(18)19-24-22-14-28-19)25(13-16-7-5-11-27-16)12-15-6-3-4-10-21-15/h1-4,6,8-10,14,16H,5,7,11-13H2,(H,23,26)/t16-/m1/s1
InChIKeyPIRWPCPMGHJNQO-MRXNPFEDSA-N
MW379.42 g/mol
LogP3.34
Rot. Bonds6

About 3-[2-(1,3,4-oxadiazol-2-yl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)urea

3-[2-(1,3,4-oxadiazol-2-yl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)urea (PubChem CID 97434919) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-[2-(1,3,4-oxadiazol-2-yl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[2-(1,3,4-oxadiazol-2-yl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)urea
PubChem CID97434919
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name3-[2-(1,3,4-oxadiazol-2-yl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)urea
SMILESO=C(Nc1ccccc1-c1nnco1)N(Cc1ccccn1)C[C@H]1CCCO1
InChIInChI=1S/C20H21N5O3/c26-20(23-18-9-2-1-8-17(18)19-24-22-14-28-19)25(13-16-7-5-11-27-16)12-15-6-3-4-10-21-15/h1-4,6,8-10,14,16H,5,7,11-13H2,(H,23,26)/t16-/m1/s1
InChIKeyPIRWPCPMGHJNQO-MRXNPFEDSA-N
XLogP3.34
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methylbenzotriazol-4-yl)-1-[[(2S)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)urea
CID 125168244
3-(1,2-oxazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 119066058
N-(oxolan-2-ylmethyl)-2-(prop-2-enylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 50984302
3-[(2-chlorophenyl)methyl]-1-(oxolan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 121499245
1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-(2-phenylphenyl)urea
CID 60577038
3-(2-methoxy-3-pyridinyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)urea
CID 47849575
1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-quinolin-8-ylurea
CID 95152122
2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 95129192
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
1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
CID 131911633
3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 131912029

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3,4-oxadiazol-2-yl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 3-[2-(1,3,4-oxadiazol-2-yl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)urea (CID 97434919) is 3-[2-(1,3,4-oxadiazol-2-yl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 3-[2-(1,3,4-oxadiazol-2-yl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 3-[2-(1,3,4-oxadiazol-2-yl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)urea is O=C(Nc1ccccc1-c1nnco1)N(Cc1ccccn1)C[C@H]1CCCO1.
What is the InChIKey of 3-[2-(1,3,4-oxadiazol-2-yl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)urea?
The InChIKey is PIRWPCPMGHJNQO-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21N5O3/c26-20(23-18-9-2-1-8-17(18)19-24-22-14-28-19)25(13-16-7-5-11-27-16)12-15-6-3-4-10-21-15/h1-4,6,8-10,14,16H,5,7,11-13H2,(H,23,26)/t16-/m1/s1.
What are the key properties of 3-[2-(1,3,4-oxadiazol-2-yl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)urea?
3-[2-(1,3,4-oxadiazol-2-yl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)urea has a molecular weight of 379.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3,4-oxadiazol-2-yl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 97434919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).