N-[1-(1H-benzimidazol-2-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

C18H15N5O2 — CID 167797492

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCC(NC(=O)c1cc(-c2cccnc2)on1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H15N5O2/c1-11(17-21-13-6-2-3-7-14(13)22-17)20-18(24)15-9-16(25-23-15)12-5-4-8-19-10-12/h2-11H,1H3,(H,20,24)(H,21,22)
InChIKeyWSAPSBQFWBREKD-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.10
Rot. Bonds4

About N-[1-(1H-benzimidazol-2-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 167797492) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID167797492
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCC(NC(=O)c1cc(-c2cccnc2)on1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H15N5O2/c1-11(17-21-13-6-2-3-7-14(13)22-17)20-18(24)15-9-16(25-23-15)12-5-4-8-19-10-12/h2-11H,1H3,(H,20,24)(H,21,22)
InChIKeyWSAPSBQFWBREKD-UHFFFAOYSA-N
XLogP3.10
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 55939577
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 30157421
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea
CID 18129110
5-pyridin-3-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 55780169
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 25373344
5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide
CID 166209272
N-[1-(1H-benzimidazol-2-yl)ethyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 61067307
N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 51956096
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 97213270
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[1-(1H-benzimidazol-2-yl)ethyl]-1,3-thiazole-2-carboxamide
CID 110468003
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 167797492) is N-[1-(1H-benzimidazol-2-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is CC(NC(=O)c1cc(-c2cccnc2)on1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is WSAPSBQFWBREKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-11(17-21-13-6-2-3-7-14(13)22-17)20-18(24)15-9-16(25-23-15)12-5-4-8-19-10-12/h2-11H,1H3,(H,20,24)(H,21,22).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 167797492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).