N-[(4-fluorophenyl)methyl]-2-(2-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carboxamide

C21H16FN3O3 — CID 134797934

IUPACN-[(4-fluorophenyl)methyl]-2-(2-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carboxamide
SMILESCOc1ncccc1-c1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2o1
InChIInChI=1S/C21H16FN3O3/c1-27-20-16(3-2-10-23-20)21-25-17-11-14(6-9-18(17)28-21)19(26)24-12-13-4-7-15(22)8-5-13/h2-11H,12H2,1H3,(H,24,26)
InChIKeyJSAWLKDPLLWVRG-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.97
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-(2-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carboxamide

N-[(4-fluorophenyl)methyl]-2-(2-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 134797934) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(2-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(2-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carboxamide
PubChem CID134797934
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(2-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carboxamide
SMILESCOc1ncccc1-c1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2o1
InChIInChI=1S/C21H16FN3O3/c1-27-20-16(3-2-10-23-20)21-25-17-11-14(6-9-18(17)28-21)19(26)24-12-13-4-7-15(22)8-5-13/h2-11H,12H2,1H3,(H,24,26)
InChIKeyJSAWLKDPLLWVRG-UHFFFAOYSA-N
XLogP3.97
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[[2-(2-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carbonyl]amino] 2,2,2-trifluoroacetate
CID 139485217
2-(2-methyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 134799573
2-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 42518502
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
N-benzyl-2-(2-chloro-4-pyridinyl)-1,3-benzoxazole-5-carboxamide
CID 134800464
2-(2-methyl-3-pyridinyl)-1,3-benzoxazole-5-carboxylic acid
CID 11694515
N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4253499
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 17100815
2-chloro-N-(pyridin-4-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 100787102
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17100829
3-methoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide
CID 17336615
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 110387930

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carboxamide (CID 134797934) is N-[(4-fluorophenyl)methyl]-2-(2-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(2-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(2-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carboxamide is COc1ncccc1-c1nc2cc(C(=O)NCc3ccc(F)cc3)ccc2o1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(2-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is JSAWLKDPLLWVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3/c1-27-20-16(3-2-10-23-20)21-25-17-11-14(6-9-18(17)28-21)19(26)24-12-13-4-7-15(22)8-5-13/h2-11H,12H2,1H3,(H,24,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(2-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 377.38 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(2-methoxy-3-pyridinyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 134797934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).