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

C19H14FN3O2S — CID 26402735

IUPAC2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide
SMILESCc1nc(CNC(=O)c2ccc3oc(-c4cccc(F)c4)nc3c2)cs1
InChIInChI=1S/C19H14FN3O2S/c1-11-22-15(10-26-11)9-21-18(24)12-5-6-17-16(8-12)23-19(25-17)13-3-2-4-14(20)7-13/h2-8,10H,9H2,1H3,(H,21,24)
InChIKeyCIUWFYZENVPNBQ-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.33
Rot. Bonds4

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

2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide (PubChem CID 26402735) has the molecular formula C19H14FN3O2S and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide
PubChem CID26402735
Molecular FormulaC19H14FN3O2S
Molecular Weight367.41 g/mol
Exact Mass367.08
IUPAC Name2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide
SMILESCc1nc(CNC(=O)c2ccc3oc(-c4cccc(F)c4)nc3c2)cs1
InChIInChI=1S/C19H14FN3O2S/c1-11-22-15(10-26-11)9-21-18(24)12-5-6-17-16(8-12)23-19(25-17)13-3-2-4-14(20)7-13/h2-8,10H,9H2,1H3,(H,21,24)
InChIKeyCIUWFYZENVPNBQ-UHFFFAOYSA-N
XLogP4.33
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide (CID 26402735) is 2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide is Cc1nc(CNC(=O)c2ccc3oc(-c4cccc(F)c4)nc3c2)cs1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide?
The InChIKey is CIUWFYZENVPNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2S/c1-11-22-15(10-26-11)9-21-18(24)12-5-6-17-16(8-12)23-19(25-17)13-3-2-4-14(20)7-13/h2-8,10H,9H2,1H3,(H,21,24).
What are the key properties of 2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide?
2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 26402735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).