N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide;hydrate

C24H17FN2O3 — CID 21211890

IUPACN-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide;hydrate
SMILESO.O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C24H15FN2O2.H2O/c25-19-7-3-6-18(13-19)24-27-21-14-20(10-11-22(21)29-24)26-23(28)17-9-8-15-4-1-2-5-16(15)12-17;/h1-14H,(H,26,28);1H2
InChIKeyPOFPRMQNWXQUQF-UHFFFAOYSA-N
MW400.41 g/mol
LogP5.21
Rot. Bonds3

About N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide;hydrate

N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide;hydrate (PubChem CID 21211890) has the molecular formula C24H17FN2O3 and a molecular weight of 400.41 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide;hydrate.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide;hydrate
PubChem CID21211890
Molecular FormulaC24H17FN2O3
Molecular Weight400.41 g/mol
Exact Mass400.12
IUPAC NameN-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide;hydrate
SMILESO.O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C24H15FN2O2.H2O/c25-19-7-3-6-18(13-19)24-27-21-14-20(10-11-22(21)29-24)26-23(28)17-9-8-15-4-1-2-5-16(15)12-17;/h1-14H,(H,26,28);1H2
InChIKeyPOFPRMQNWXQUQF-UHFFFAOYSA-N
XLogP5.21
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.41
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23960249
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-propoxybenzamide
CID 2268437
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 4665629
3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 2996567
4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 1326852
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 4509947
2,5-dichloro-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126552
2,3-dichloro-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1324915
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 746929
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]but-3-enamide
CID 4714601
1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone
CID 82299125
N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 1114177

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide;hydrate?
The IUPAC name of N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide;hydrate (CID 21211890) is N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide;hydrate.
What is the SMILES notation for N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide;hydrate?
The canonical SMILES for N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide;hydrate is O.O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide;hydrate?
The InChIKey is POFPRMQNWXQUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN2O2.H2O/c25-19-7-3-6-18(13-19)24-27-21-14-20(10-11-22(21)29-24)26-23(28)17-9-8-15-4-1-2-5-16(15)12-17;/h1-14H,(H,26,28);1H2.
What are the key properties of N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide;hydrate?
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide;hydrate has a molecular weight of 400.41 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide;hydrate is sourced from PubChem (CID 21211890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).