3-[1-[4-(dimethylamino)-2-methylphenyl]propan-2-yl]-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylurea

C19H29N5O2 — CID 167774689

IUPAC3-[1-[4-(dimethylamino)-2-methylphenyl]propan-2-yl]-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylurea
SMILESCCc1noc(CN(C)C(=O)NC(C)Cc2ccc(N(C)C)cc2C)n1
InChIInChI=1S/C19H29N5O2/c1-7-17-21-18(26-22-17)12-24(6)19(25)20-14(3)11-15-8-9-16(23(4)5)10-13(15)2/h8-10,14H,7,11-12H2,1-6H3,(H,20,25)
InChIKeyFMSGUOLUTRDSKM-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.78
Rot. Bonds7

About 3-[1-[4-(dimethylamino)-2-methylphenyl]propan-2-yl]-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylurea

3-[1-[4-(dimethylamino)-2-methylphenyl]propan-2-yl]-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylurea (PubChem CID 167774689) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-[1-[4-(dimethylamino)-2-methylphenyl]propan-2-yl]-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[1-[4-(dimethylamino)-2-methylphenyl]propan-2-yl]-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylurea
PubChem CID167774689
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name3-[1-[4-(dimethylamino)-2-methylphenyl]propan-2-yl]-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylurea
SMILESCCc1noc(CN(C)C(=O)NC(C)Cc2ccc(N(C)C)cc2C)n1
InChIInChI=1S/C19H29N5O2/c1-7-17-21-18(26-22-17)12-24(6)19(25)20-14(3)11-15-8-9-16(23(4)5)10-13(15)2/h8-10,14H,7,11-12H2,1-6H3,(H,20,25)
InChIKeyFMSGUOLUTRDSKM-UHFFFAOYSA-N
XLogP2.78
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-phenylurea
CID 51108291
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid
CID 62637255
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 56508810
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide
CID 29027206
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
CID 43442230
3-(4-cyano-2-ethylphenyl)-1-ethyl-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 72870934
methyl 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate
CID 60971190
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trimethoxy-N-methylbenzamide
CID 52886359
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide
CID 86789873
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylbenzamide
CID 56509826
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea
CID 95326899
N-tert-butyl-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetamide
CID 86919203

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(dimethylamino)-2-methylphenyl]propan-2-yl]-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylurea?
The IUPAC name of 3-[1-[4-(dimethylamino)-2-methylphenyl]propan-2-yl]-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylurea (CID 167774689) is 3-[1-[4-(dimethylamino)-2-methylphenyl]propan-2-yl]-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylurea.
What is the SMILES notation for 3-[1-[4-(dimethylamino)-2-methylphenyl]propan-2-yl]-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylurea?
The canonical SMILES for 3-[1-[4-(dimethylamino)-2-methylphenyl]propan-2-yl]-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylurea is CCc1noc(CN(C)C(=O)NC(C)Cc2ccc(N(C)C)cc2C)n1.
What is the InChIKey of 3-[1-[4-(dimethylamino)-2-methylphenyl]propan-2-yl]-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylurea?
The InChIKey is FMSGUOLUTRDSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-7-17-21-18(26-22-17)12-24(6)19(25)20-14(3)11-15-8-9-16(23(4)5)10-13(15)2/h8-10,14H,7,11-12H2,1-6H3,(H,20,25).
What are the key properties of 3-[1-[4-(dimethylamino)-2-methylphenyl]propan-2-yl]-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylurea?
3-[1-[4-(dimethylamino)-2-methylphenyl]propan-2-yl]-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylurea has a molecular weight of 359.47 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(dimethylamino)-2-methylphenyl]propan-2-yl]-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylurea is sourced from PubChem (CID 167774689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).