5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one

C18H16N4O2 — CID 71991004

IUPAC5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCC(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H16N4O2/c1-11(17-19-10-16(24-17)12-5-3-2-4-6-12)20-13-7-8-14-15(9-13)22-18(23)21-14/h2-11,20H,1H3,(H2,21,22,23)
InChIKeyDXXOTKFQKODPAO-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.68
Rot. Bonds4

About 5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one

5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 71991004) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID71991004
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCC(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H16N4O2/c1-11(17-19-10-16(24-17)12-5-3-2-4-6-12)20-13-7-8-14-15(9-13)22-18(23)21-14/h2-11,20H,1H3,(H2,21,22,23)
InChIKeyDXXOTKFQKODPAO-UHFFFAOYSA-N
XLogP3.68
TPSA86.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 97021644
[3-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol
CID 71991023
3-[(1R)-1-methoxyethyl]-N-[(1R)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]aniline
CID 99817504
5-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one
CID 34282424
[2-ethoxy-5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol
CID 71990932
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 55495534
2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 51236618
5-[1-(4-chlorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one
CID 43201877
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]urea
CID 126792890
2-(5-phenyl-1,3-oxazol-2-yl)propanoate
CID 57371463
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-N-prop-2-ynylpropanamide
CID 47157501
7-amino-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]heptanamide
CID 119799002

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one (CID 71991004) is 5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one is CC(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ncc(-c2ccccc2)o1.
What is the InChIKey of 5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is DXXOTKFQKODPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-11(17-19-10-16(24-17)12-5-3-2-4-6-12)20-13-7-8-14-15(9-13)22-18(23)21-14/h2-11,20H,1H3,(H2,21,22,23).
What are the key properties of 5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one?
5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 320.35 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 71991004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).