3-[3-(2,3-dihydroindol-1-yl)propyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea

C19H26N4O2 — CID 51084468

IUPAC3-[3-(2,3-dihydroindol-1-yl)propyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
SMILESCc1noc(C)c1CN(C)C(=O)NCCCN1CCc2ccccc21
InChIInChI=1S/C19H26N4O2/c1-14-17(15(2)25-21-14)13-22(3)19(24)20-10-6-11-23-12-9-16-7-4-5-8-18(16)23/h4-5,7-8H,6,9-13H2,1-3H3,(H,20,24)
InChIKeyUIJMWPICBVCYEE-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.89
Rot. Bonds6

About 3-[3-(2,3-dihydroindol-1-yl)propyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea

3-[3-(2,3-dihydroindol-1-yl)propyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea (PubChem CID 51084468) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[3-(2,3-dihydroindol-1-yl)propyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[3-(2,3-dihydroindol-1-yl)propyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
PubChem CID51084468
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-[3-(2,3-dihydroindol-1-yl)propyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
SMILESCc1noc(C)c1CN(C)C(=O)NCCCN1CCc2ccccc21
InChIInChI=1S/C19H26N4O2/c1-14-17(15(2)25-21-14)13-22(3)19(24)20-10-6-11-23-12-9-16-7-4-5-8-18(16)23/h4-5,7-8H,6,9-13H2,1-3H3,(H,20,24)
InChIKeyUIJMWPICBVCYEE-UHFFFAOYSA-N
XLogP2.89
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 94053931
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 94053929
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
3-[[(1R)-3,4-dihydro-1H-isothiochromen-1-yl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 97065895
N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide
CID 61251337
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide
CID 38464494
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
CID 119851222
1-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119851215
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669700
5-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylbenzamide
CID 120642594
N-(2,3-dihydroindol-1-ylsulfonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 56801987

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydroindol-1-yl)propyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
The IUPAC name of 3-[3-(2,3-dihydroindol-1-yl)propyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea (CID 51084468) is 3-[3-(2,3-dihydroindol-1-yl)propyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea.
What is the SMILES notation for 3-[3-(2,3-dihydroindol-1-yl)propyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
The canonical SMILES for 3-[3-(2,3-dihydroindol-1-yl)propyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea is Cc1noc(C)c1CN(C)C(=O)NCCCN1CCc2ccccc21.
What is the InChIKey of 3-[3-(2,3-dihydroindol-1-yl)propyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
The InChIKey is UIJMWPICBVCYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-17(15(2)25-21-14)13-22(3)19(24)20-10-6-11-23-12-9-16-7-4-5-8-18(16)23/h4-5,7-8H,6,9-13H2,1-3H3,(H,20,24).
What are the key properties of 3-[3-(2,3-dihydroindol-1-yl)propyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
3-[3-(2,3-dihydroindol-1-yl)propyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea has a molecular weight of 342.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dihydroindol-1-yl)propyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea is sourced from PubChem (CID 51084468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).