1-methyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea

C19H23N5O3 — CID 121499485

IUPAC1-methyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea
SMILESCCCc1cc(CNC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)on1
InChIInChI=1S/C19H23N5O3/c1-4-6-15-10-16(26-22-15)11-20-19(25)24(3)12-17-21-18(23-27-17)14-8-5-7-13(2)9-14/h5,7-10H,4,6,11-12H2,1-3H3,(H,20,25)
InChIKeyMXKYLDCDLKODCF-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.33
Rot. Bonds7

About 1-methyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea

1-methyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea (PubChem CID 121499485) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-methyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea
PubChem CID121499485
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name1-methyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea
SMILESCCCc1cc(CNC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)on1
InChIInChI=1S/C19H23N5O3/c1-4-6-15-10-16(26-22-15)11-20-19(25)24(3)12-17-21-18(23-27-17)14-8-5-7-13(2)9-14/h5,7-10H,4,6,11-12H2,1-3H3,(H,20,25)
InChIKeyMXKYLDCDLKODCF-UHFFFAOYSA-N
XLogP3.33
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-propan-2-ylurea
CID 6473563
1-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-propylurea
CID 17275261
1-methyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylurea
CID 3164417
2-chloro-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 6471652
3-[methyl-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanoic acid;hydrochloride
CID 119911331
N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706341
[4-[methyl-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamoyl]phenyl] acetate
CID 8894691
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 6459027
N,3-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8835651
4-(methoxymethyl)-N,5-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2-oxazole-3-carboxamide
CID 50975170
N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxybutanamide
CID 84860842
N,2-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-nitrobenzamide
CID 8874577

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea?
The IUPAC name of 1-methyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea (CID 121499485) is 1-methyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea.
What is the SMILES notation for 1-methyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea?
The canonical SMILES for 1-methyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea is CCCc1cc(CNC(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)on1.
What is the InChIKey of 1-methyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea?
The InChIKey is MXKYLDCDLKODCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-4-6-15-10-16(26-22-15)11-20-19(25)24(3)12-17-21-18(23-27-17)14-8-5-7-13(2)9-14/h5,7-10H,4,6,11-12H2,1-3H3,(H,20,25).
What are the key properties of 1-methyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea?
1-methyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea has a molecular weight of 369.43 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(3-propyl-1,2-oxazol-5-yl)methyl]urea is sourced from PubChem (CID 121499485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).