3-chloro-4-methyl-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)benzamide

C25H17ClN2O2 — CID 3556146

IUPAC3-chloro-4-methyl-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)cc1Cl
InChIInChI=1S/C25H17ClN2O2/c1-15-9-10-17(13-21(15)26)24(29)27-18-11-12-23-22(14-18)28-25(30-23)20-8-4-6-16-5-2-3-7-19(16)20/h2-14H,1H3,(H,27,29)
InChIKeyTWUQBNQSIWONFM-UHFFFAOYSA-N
MW412.88 g/mol
LogP6.86
Rot. Bonds3

About 3-chloro-4-methyl-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)benzamide

3-chloro-4-methyl-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 3556146) has the molecular formula C25H17ClN2O2 and a molecular weight of 412.88 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)benzamide
PubChem CID3556146
Molecular FormulaC25H17ClN2O2
Molecular Weight412.88 g/mol
Exact Mass412.10
IUPAC Name3-chloro-4-methyl-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)cc1Cl
InChIInChI=1S/C25H17ClN2O2/c1-15-9-10-17(13-21(15)26)24(29)27-18-11-12-23-22(14-18)28-25(30-23)20-8-4-6-16-5-2-3-7-19(16)20/h2-14H,1H3,(H,27,29)
InChIKeyTWUQBNQSIWONFM-UHFFFAOYSA-N
XLogP6.86
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.88
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3-chloro-4-methylbenzamide
CID 23731964
N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)naphthalene-1-carboxamide
CID 3117204
3,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 3952497
N-[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]-3,4-dimethylbenzamide
CID 23959755
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-3,4-dichlorobenzamide
CID 3998301
3-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide
CID 2911857
3-[(2R)-butan-2-yl]oxy-N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]benzamide
CID 39365655
4-[(2S)-butan-2-yl]oxy-N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]benzamide
CID 39361653
3-bromo-N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]-4-chlorobenzamide
CID 155511738
5-bromo-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 1142575
N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-3-(phenoxymethyl)benzamide
CID 21213245
N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 4510102

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 3-chloro-4-methyl-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)benzamide (CID 3556146) is 3-chloro-4-methyl-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 3-chloro-4-methyl-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 3-chloro-4-methyl-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)benzamide is Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is TWUQBNQSIWONFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN2O2/c1-15-9-10-17(13-21(15)26)24(29)27-18-11-12-23-22(14-18)28-25(30-23)20-8-4-6-16-5-2-3-7-19(16)20/h2-14H,1H3,(H,27,29).
What are the key properties of 3-chloro-4-methyl-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)benzamide?
3-chloro-4-methyl-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 412.88 g/mol, XLogP of 6.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 3556146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).