5-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole

C19H17N5O — CID 91838639

IUPAC5-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole
SMILESc1ccc2[nH]c(C3CN(Cc4cc(-c5ccncc5)no4)C3)nc2c1
InChIInChI=1S/C19H17N5O/c1-2-4-17-16(3-1)21-19(22-17)14-10-24(11-14)12-15-9-18(23-25-15)13-5-7-20-8-6-13/h1-9,14H,10-12H2,(H,21,22)
InChIKeyVIDPVEGWDJAPCS-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.21
Rot. Bonds4

About 5-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole

5-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole (PubChem CID 91838639) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole
PubChem CID91838639
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name5-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole
SMILESc1ccc2[nH]c(C3CN(Cc4cc(-c5ccncc5)no4)C3)nc2c1
InChIInChI=1S/C19H17N5O/c1-2-4-17-16(3-1)21-19(22-17)14-10-24(11-14)12-15-9-18(23-25-15)13-5-7-20-8-6-13/h1-9,14H,10-12H2,(H,21,22)
InChIKeyVIDPVEGWDJAPCS-UHFFFAOYSA-N
XLogP3.21
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(3-chloro-4-pyridinyl)methyl]azetidin-3-yl]-1H-benzimidazole
CID 77091645
2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole
CID 166392326
2-(1-propylazetidin-3-yl)-1H-benzimidazole
CID 141153066
2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole
CID 66763355
[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 51137015
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
2-(1-pent-4-ynylazetidin-3-yl)-1H-benzimidazole
CID 148699034
(1S)-2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-phenylethanol
CID 124756300
3-[4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]phenyl]prop-2-yn-1-ol
CID 77083335
(4S)-4-(1H-benzimidazol-2-yl)-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 40712600
5-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole
CID 91839693
4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-5-tert-butylfuran-2-carboxamide
CID 91839331

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole?
The IUPAC name of 5-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole (CID 91838639) is 5-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole.
What is the SMILES notation for 5-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole?
The canonical SMILES for 5-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole is c1ccc2[nH]c(C3CN(Cc4cc(-c5ccncc5)no4)C3)nc2c1.
What is the InChIKey of 5-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole?
The InChIKey is VIDPVEGWDJAPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-2-4-17-16(3-1)21-19(22-17)14-10-24(11-14)12-15-9-18(23-25-15)13-5-7-20-8-6-13/h1-9,14H,10-12H2,(H,21,22).
What are the key properties of 5-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole?
5-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole has a molecular weight of 331.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole is sourced from PubChem (CID 91838639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).