N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide

C14H15N3O2 — CID 850407

IUPACN-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2onc3c2CCCC3)n1
InChIInChI=1S/C14H15N3O2/c1-9-5-4-8-12(15-9)16-14(18)13-10-6-2-3-7-11(10)17-19-13/h4-5,8H,2-3,6-7H2,1H3,(H,15,16,18)
InChIKeyKDZWDYWSTFVLMY-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.51
Rot. Bonds2

About N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide

N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide (PubChem CID 850407) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
PubChem CID850407
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2onc3c2CCCC3)n1
InChIInChI=1S/C14H15N3O2/c1-9-5-4-8-12(15-9)16-14(18)13-10-6-2-3-7-11(10)17-19-13/h4-5,8H,2-3,6-7H2,1H3,(H,15,16,18)
InChIKeyKDZWDYWSTFVLMY-UHFFFAOYSA-N
XLogP2.51
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide (CID 850407) is N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide is Cc1cccc(NC(=O)c2onc3c2CCCC3)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The InChIKey is KDZWDYWSTFVLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-5-4-8-12(15-9)16-14(18)13-10-6-2-3-7-11(10)17-19-13/h4-5,8H,2-3,6-7H2,1H3,(H,15,16,18).
What are the key properties of N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide is sourced from PubChem (CID 850407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).