1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1-ethylbenzimidazol-2-yl)methyl]urea

C16H19N5O2 — CID 48748033

IUPAC1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1-ethylbenzimidazol-2-yl)methyl]urea
SMILESCCn1c(CNC(=O)Nc2nc(C)c(C)o2)nc2ccccc21
InChIInChI=1S/C16H19N5O2/c1-4-21-13-8-6-5-7-12(13)19-14(21)9-17-15(22)20-16-18-10(2)11(3)23-16/h5-8H,4,9H2,1-3H3,(H2,17,18,20,22)
InChIKeyVLRHQLMQBNGSAJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.98
Rot. Bonds4

About 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1-ethylbenzimidazol-2-yl)methyl]urea

1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1-ethylbenzimidazol-2-yl)methyl]urea (PubChem CID 48748033) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1-ethylbenzimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1-ethylbenzimidazol-2-yl)methyl]urea
PubChem CID48748033
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1-ethylbenzimidazol-2-yl)methyl]urea
SMILESCCn1c(CNC(=O)Nc2nc(C)c(C)o2)nc2ccccc21
InChIInChI=1S/C16H19N5O2/c1-4-21-13-8-6-5-7-12(13)19-14(21)9-17-15(22)20-16-18-10(2)11(3)23-16/h5-8H,4,9H2,1-3H3,(H2,17,18,20,22)
InChIKeyVLRHQLMQBNGSAJ-UHFFFAOYSA-N
XLogP2.98
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1-ethylbenzimidazol-2-yl)methyl]urea?
The IUPAC name of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1-ethylbenzimidazol-2-yl)methyl]urea (CID 48748033) is 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1-ethylbenzimidazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1-ethylbenzimidazol-2-yl)methyl]urea?
The canonical SMILES for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1-ethylbenzimidazol-2-yl)methyl]urea is CCn1c(CNC(=O)Nc2nc(C)c(C)o2)nc2ccccc21.
What is the InChIKey of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1-ethylbenzimidazol-2-yl)methyl]urea?
The InChIKey is VLRHQLMQBNGSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-4-21-13-8-6-5-7-12(13)19-14(21)9-17-15(22)20-16-18-10(2)11(3)23-16/h5-8H,4,9H2,1-3H3,(H2,17,18,20,22).
What are the key properties of 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1-ethylbenzimidazol-2-yl)methyl]urea?
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1-ethylbenzimidazol-2-yl)methyl]urea has a molecular weight of 313.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(1-ethylbenzimidazol-2-yl)methyl]urea is sourced from PubChem (CID 48748033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).