1-(3-imidazol-1-ylpropyl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea

C16H19N5O3 — CID 60545929

IUPAC1-(3-imidazol-1-ylpropyl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
SMILESO=C(NCCCn1ccnc1)Nc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C16H19N5O3/c22-15(18-6-1-8-20-9-7-17-12-20)19-13-2-4-14(5-3-13)21-10-11-24-16(21)23/h2-5,7,9,12H,1,6,8,10-11H2,(H2,18,19,22)
InChIKeyOQWDSIKDFBITCS-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.05
Rot. Bonds6

About 1-(3-imidazol-1-ylpropyl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea

1-(3-imidazol-1-ylpropyl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea (PubChem CID 60545929) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
PubChem CID60545929
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name1-(3-imidazol-1-ylpropyl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
SMILESO=C(NCCCn1ccnc1)Nc1ccc(N2CCOC2=O)cc1
InChIInChI=1S/C16H19N5O3/c22-15(18-6-1-8-20-9-7-17-12-20)19-13-2-4-14(5-3-13)21-10-11-24-16(21)23/h2-5,7,9,12H,1,6,8,10-11H2,(H2,18,19,22)
InChIKeyOQWDSIKDFBITCS-UHFFFAOYSA-N
XLogP2.05
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 60545931
1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 60545752
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(3-imidazol-1-ylpropyl)urea
CID 72907827
1-(3-chloro-4-thiomorpholin-4-ylphenyl)-3-(3-imidazol-1-ylpropyl)urea
CID 60612019
1-(3-imidazol-1-ylpropyl)-3-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 40506484
N'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 2883621
N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazine-2-carboxamide
CID 110668697
1-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 55912125
1-[4-(1-hydroxyethyl)phenyl]-3-(2-imidazol-1-ylethyl)urea
CID 61461408
1-(3-imidazol-1-ylpropyl)-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
CID 60569650
1-(3-imidazol-1-ylpropyl)-3-(5-methyl-2-pyridinyl)urea
CID 86788667
1-(2,3-dichlorophenyl)-3-(3-imidazol-1-ylpropyl)urea
CID 47032146

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea (CID 60545929) is 1-(3-imidazol-1-ylpropyl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea is O=C(NCCCn1ccnc1)Nc1ccc(N2CCOC2=O)cc1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
The InChIKey is OQWDSIKDFBITCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c22-15(18-6-1-8-20-9-7-17-12-20)19-13-2-4-14(5-3-13)21-10-11-24-16(21)23/h2-5,7,9,12H,1,6,8,10-11H2,(H2,18,19,22).
What are the key properties of 1-(3-imidazol-1-ylpropyl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea?
1-(3-imidazol-1-ylpropyl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea has a molecular weight of 329.36 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea is sourced from PubChem (CID 60545929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).