4-tert-butyl-N-[2-(2-chloro-5-methylphenyl)-1,3-benzoxazol-5-yl]benzamide

C25H23ClN2O2 — CID 58985881

IUPAC4-tert-butyl-N-[2-(2-chloro-5-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCc1ccc(Cl)c(-c2nc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3o2)c1
InChIInChI=1S/C25H23ClN2O2/c1-15-5-11-20(26)19(13-15)24-28-21-14-18(10-12-22(21)30-24)27-23(29)16-6-8-17(9-7-16)25(2,3)4/h5-14H,1-4H3,(H,27,29)
InChIKeySAYNRMQDJIVOFF-UHFFFAOYSA-N
MW418.92 g/mol
LogP7.01
Rot. Bonds3

About 4-tert-butyl-N-[2-(2-chloro-5-methylphenyl)-1,3-benzoxazol-5-yl]benzamide

4-tert-butyl-N-[2-(2-chloro-5-methylphenyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 58985881) has the molecular formula C25H23ClN2O2 and a molecular weight of 418.92 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(2-chloro-5-methylphenyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(2-chloro-5-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID58985881
Molecular FormulaC25H23ClN2O2
Molecular Weight418.92 g/mol
Exact Mass418.14
IUPAC Name4-tert-butyl-N-[2-(2-chloro-5-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCc1ccc(Cl)c(-c2nc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3o2)c1
InChIInChI=1S/C25H23ClN2O2/c1-15-5-11-20(26)19(13-15)24-28-21-14-18(10-12-22(21)30-24)27-23(29)16-6-8-17(9-7-16)25(2,3)4/h5-14H,1-4H3,(H,27,29)
InChIKeySAYNRMQDJIVOFF-UHFFFAOYSA-N
XLogP7.01
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.92
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3-(trifluoromethyl)benzamide
CID 71959468
2-(4-tert-butylphenoxy)-N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 2721135
N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-ethylbenzamide
CID 3893327
N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide
CID 3125099
4-tert-butyl-N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-4-ium-2-yl)phenyl]benzamide
CID 4748887
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide
CID 23883701
N-[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide
CID 23994777
4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23960249
N-[[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methylbenzamide
CID 2278771
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-4-tert-butylbenzamide
CID 2263263
3,4-dichloro-N-[4-[5-[(3,4-dichlorobenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]benzamide
CID 53356242
2-chloro-N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-methylbenzamide
CID 2294657

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(2-chloro-5-methylphenyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-(2-chloro-5-methylphenyl)-1,3-benzoxazol-5-yl]benzamide (CID 58985881) is 4-tert-butyl-N-[2-(2-chloro-5-methylphenyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(2-chloro-5-methylphenyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-(2-chloro-5-methylphenyl)-1,3-benzoxazol-5-yl]benzamide is Cc1ccc(Cl)c(-c2nc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3o2)c1.
What is the InChIKey of 4-tert-butyl-N-[2-(2-chloro-5-methylphenyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is SAYNRMQDJIVOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O2/c1-15-5-11-20(26)19(13-15)24-28-21-14-18(10-12-22(21)30-24)27-23(29)16-6-8-17(9-7-16)25(2,3)4/h5-14H,1-4H3,(H,27,29).
What are the key properties of 4-tert-butyl-N-[2-(2-chloro-5-methylphenyl)-1,3-benzoxazol-5-yl]benzamide?
4-tert-butyl-N-[2-(2-chloro-5-methylphenyl)-1,3-benzoxazol-5-yl]benzamide has a molecular weight of 418.92 g/mol, XLogP of 7.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(2-chloro-5-methylphenyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 58985881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).