N-[[4-(1,3-benzoxazol-2-yl)-1-methylbenzimidazol-2-yl]methyl]-1,3-oxazol-2-amine

C19H15N5O2 — CID 58217338

IUPACN-[[4-(1,3-benzoxazol-2-yl)-1-methylbenzimidazol-2-yl]methyl]-1,3-oxazol-2-amine
SMILESCn1c(CNc2ncco2)nc2c(-c3nc4ccccc4o3)cccc21
InChIInChI=1S/C19H15N5O2/c1-24-14-7-4-5-12(18-22-13-6-2-3-8-15(13)26-18)17(14)23-16(24)11-21-19-20-9-10-25-19/h2-10H,11H2,1H3,(H,20,21)
InChIKeyGUZRSRSIZRTBAP-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.98
Rot. Bonds4

About N-[[4-(1,3-benzoxazol-2-yl)-1-methylbenzimidazol-2-yl]methyl]-1,3-oxazol-2-amine

N-[[4-(1,3-benzoxazol-2-yl)-1-methylbenzimidazol-2-yl]methyl]-1,3-oxazol-2-amine (PubChem CID 58217338) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[[4-(1,3-benzoxazol-2-yl)-1-methylbenzimidazol-2-yl]methyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[[4-(1,3-benzoxazol-2-yl)-1-methylbenzimidazol-2-yl]methyl]-1,3-oxazol-2-amine
PubChem CID58217338
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC NameN-[[4-(1,3-benzoxazol-2-yl)-1-methylbenzimidazol-2-yl]methyl]-1,3-oxazol-2-amine
SMILESCn1c(CNc2ncco2)nc2c(-c3nc4ccccc4o3)cccc21
InChIInChI=1S/C19H15N5O2/c1-24-14-7-4-5-12(18-22-13-6-2-3-8-15(13)26-18)17(14)23-16(24)11-21-19-20-9-10-25-19/h2-10H,11H2,1H3,(H,20,21)
InChIKeyGUZRSRSIZRTBAP-UHFFFAOYSA-N
XLogP3.98
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-benzoxazol-2-yl)-1-methylbenzimidazol-2-yl]methyl]-1,3-oxazol-2-amine?
The IUPAC name of N-[[4-(1,3-benzoxazol-2-yl)-1-methylbenzimidazol-2-yl]methyl]-1,3-oxazol-2-amine (CID 58217338) is N-[[4-(1,3-benzoxazol-2-yl)-1-methylbenzimidazol-2-yl]methyl]-1,3-oxazol-2-amine.
What is the SMILES notation for N-[[4-(1,3-benzoxazol-2-yl)-1-methylbenzimidazol-2-yl]methyl]-1,3-oxazol-2-amine?
The canonical SMILES for N-[[4-(1,3-benzoxazol-2-yl)-1-methylbenzimidazol-2-yl]methyl]-1,3-oxazol-2-amine is Cn1c(CNc2ncco2)nc2c(-c3nc4ccccc4o3)cccc21.
What is the InChIKey of N-[[4-(1,3-benzoxazol-2-yl)-1-methylbenzimidazol-2-yl]methyl]-1,3-oxazol-2-amine?
The InChIKey is GUZRSRSIZRTBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-24-14-7-4-5-12(18-22-13-6-2-3-8-15(13)26-18)17(14)23-16(24)11-21-19-20-9-10-25-19/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of N-[[4-(1,3-benzoxazol-2-yl)-1-methylbenzimidazol-2-yl]methyl]-1,3-oxazol-2-amine?
N-[[4-(1,3-benzoxazol-2-yl)-1-methylbenzimidazol-2-yl]methyl]-1,3-oxazol-2-amine has a molecular weight of 345.36 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3-benzoxazol-2-yl)-1-methylbenzimidazol-2-yl]methyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 58217338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).