1-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-ylamino)-3-[3-(2,4-dimethylphenoxy)propyl]urea

C18H23N5O3 — CID 91100843

IUPAC1-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-ylamino)-3-[3-(2,4-dimethylphenoxy)propyl]urea
SMILESCc1ccc(OCCCNC(=O)NNC2Nc3cccnc3O2)c(C)c1
InChIInChI=1S/C18H23N5O3/c1-12-6-7-15(13(2)11-12)25-10-4-9-20-17(24)22-23-18-21-14-5-3-8-19-16(14)26-18/h3,5-8,11,18,21,23H,4,9-10H2,1-2H3,(H2,20,22,24)
InChIKeyAUUWJTDMQWCYBO-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.06
Rot. Bonds7

About 1-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-ylamino)-3-[3-(2,4-dimethylphenoxy)propyl]urea

1-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-ylamino)-3-[3-(2,4-dimethylphenoxy)propyl]urea (PubChem CID 91100843) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-ylamino)-3-[3-(2,4-dimethylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-ylamino)-3-[3-(2,4-dimethylphenoxy)propyl]urea
PubChem CID91100843
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name1-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-ylamino)-3-[3-(2,4-dimethylphenoxy)propyl]urea
SMILESCc1ccc(OCCCNC(=O)NNC2Nc3cccnc3O2)c(C)c1
InChIInChI=1S/C18H23N5O3/c1-12-6-7-15(13(2)11-12)25-10-4-9-20-17(24)22-23-18-21-14-5-3-8-19-16(14)26-18/h3,5-8,11,18,21,23H,4,9-10H2,1-2H3,(H2,20,22,24)
InChIKeyAUUWJTDMQWCYBO-UHFFFAOYSA-N
XLogP2.06
TPSA96.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-ylamino)-3-[3-(2,4-dimethylphenoxy)propyl]urea with MolForge

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Related Compounds

1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973601
1-[3-(2,4-dimethylphenoxy)propyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]urea
CID 18716817
1-(3-butoxypropyl)-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870596
N-[3-(2,4-dimethylphenoxy)propyl]propanamide
CID 20669618
N-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide
CID 36962711
1-cycloheptyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973665
2-(4,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]acetamide
CID 59000260
1-[3-(2,4-dimethylphenoxy)propyl]-3-[(3-methylsulfanyl-1,2,4-oxadiazol-5-yl)amino]urea
CID 59057856
1-[2-(dimethylamino)ethyl]-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973611
2-[2-(2,4-dimethylphenoxy)ethylamino]acetic acid
CID 94684404
2-[[4-[3-(2,4-dimethylphenoxy)propylcarbamoylamino]anilino]carbamoyl]-3,4,5,6-tetrafluorobenzoic acid
CID 22895447
1-(2-hydroxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883846

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-ylamino)-3-[3-(2,4-dimethylphenoxy)propyl]urea?
The IUPAC name of 1-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-ylamino)-3-[3-(2,4-dimethylphenoxy)propyl]urea (CID 91100843) is 1-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-ylamino)-3-[3-(2,4-dimethylphenoxy)propyl]urea.
What is the SMILES notation for 1-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-ylamino)-3-[3-(2,4-dimethylphenoxy)propyl]urea?
The canonical SMILES for 1-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-ylamino)-3-[3-(2,4-dimethylphenoxy)propyl]urea is Cc1ccc(OCCCNC(=O)NNC2Nc3cccnc3O2)c(C)c1.
What is the InChIKey of 1-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-ylamino)-3-[3-(2,4-dimethylphenoxy)propyl]urea?
The InChIKey is AUUWJTDMQWCYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-12-6-7-15(13(2)11-12)25-10-4-9-20-17(24)22-23-18-21-14-5-3-8-19-16(14)26-18/h3,5-8,11,18,21,23H,4,9-10H2,1-2H3,(H2,20,22,24).
What are the key properties of 1-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-ylamino)-3-[3-(2,4-dimethylphenoxy)propyl]urea?
1-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-ylamino)-3-[3-(2,4-dimethylphenoxy)propyl]urea has a molecular weight of 357.41 g/mol, XLogP of 2.06, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydro-[1,3]oxazolo[5,4-b]pyridin-2-ylamino)-3-[3-(2,4-dimethylphenoxy)propyl]urea is sourced from PubChem (CID 91100843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).