1-methyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea

C19H23N5O3 — CID 126440889

IUPAC1-methyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
SMILESCC(C)c1cc(CN(C)C(=O)N[C@@H](C)c2nc(-c3ccccc3)no2)on1
InChIInChI=1S/C19H23N5O3/c1-12(2)16-10-15(26-22-16)11-24(4)19(25)20-13(3)18-21-17(23-27-18)14-8-6-5-7-9-14/h5-10,12-13H,11H2,1-4H3,(H,20,25)/t13-/m0/s1
InChIKeyIRYJGAQQJQWEDC-ZDUSSCGKSA-N
MW369.43 g/mol
LogP3.75
Rot. Bonds6

About 1-methyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea

1-methyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea (PubChem CID 126440889) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-methyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
PubChem CID126440889
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name1-methyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
SMILESCC(C)c1cc(CN(C)C(=O)N[C@@H](C)c2nc(-c3ccccc3)no2)on1
InChIInChI=1S/C19H23N5O3/c1-12(2)16-10-15(26-22-16)11-24(4)19(25)20-13(3)18-21-17(23-27-18)14-8-6-5-7-9-14/h5-10,12-13H,11H2,1-4H3,(H,20,25)/t13-/m0/s1
InChIKeyIRYJGAQQJQWEDC-ZDUSSCGKSA-N
XLogP3.75
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-dimethyl-N-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
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CID 125435106
3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
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N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(N-methylanilino)acetamide
CID 49218594
3-[[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]pyrazine-2-carboxylic acid
CID 95858995
1-cyclohexyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 25421760
1-cyclohexyl-3-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 25421755
5-(3,4-dimethylphenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 172898296
5-fluoro-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylbenzamide
CID 95141288
N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexanecarboxamide
CID 6458644
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101424
2-ethyl-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea?
The IUPAC name of 1-methyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea (CID 126440889) is 1-methyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea is CC(C)c1cc(CN(C)C(=O)N[C@@H](C)c2nc(-c3ccccc3)no2)on1.
What is the InChIKey of 1-methyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea?
The InChIKey is IRYJGAQQJQWEDC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-12(2)16-10-15(26-22-16)11-24(4)19(25)20-13(3)18-21-17(23-27-18)14-8-6-5-7-9-14/h5-10,12-13H,11H2,1-4H3,(H,20,25)/t13-/m0/s1.
What are the key properties of 1-methyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea?
1-methyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea has a molecular weight of 369.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea is sourced from PubChem (CID 126440889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).