2-tert-butyl-6-chloro-N-phenyl-1,3-benzoxazole-7-carboxamide

C18H17ClN2O2 — CID 102109299

IUPAC2-tert-butyl-6-chloro-N-phenyl-1,3-benzoxazole-7-carboxamide
SMILESCC(C)(C)c1nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2o1
InChIInChI=1S/C18H17ClN2O2/c1-18(2,3)17-21-13-10-9-12(19)14(15(13)23-17)16(22)20-11-7-5-4-6-8-11/h4-10H,1-3H3,(H,20,22)
InChIKeyRNDRXJGBCWBEMG-UHFFFAOYSA-N
MW328.80 g/mol
LogP5.03
Rot. Bonds2

About 2-tert-butyl-6-chloro-N-phenyl-1,3-benzoxazole-7-carboxamide

2-tert-butyl-6-chloro-N-phenyl-1,3-benzoxazole-7-carboxamide (PubChem CID 102109299) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-phenyl-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-phenyl-1,3-benzoxazole-7-carboxamide
PubChem CID102109299
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-tert-butyl-6-chloro-N-phenyl-1,3-benzoxazole-7-carboxamide
SMILESCC(C)(C)c1nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2o1
InChIInChI=1S/C18H17ClN2O2/c1-18(2,3)17-21-13-10-9-12(19)14(15(13)23-17)16(22)20-11-7-5-4-6-8-11/h4-10H,1-3H3,(H,20,22)
InChIKeyRNDRXJGBCWBEMG-UHFFFAOYSA-N
XLogP5.03
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.80
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-7-chloro-1,3-benzoxazole
CID 119084711
2-tert-butyl-6-chloro-7-pyridin-2-ylsulfanyl-1,3-benzoxazole
CID 130191277
2,4,6-trichloro-N-phenylbenzamide
CID 68933625
2,4-dichloro-N-phenylquinoline-3-carboxamide
CID 2786668
3-amino-6-chloro-2-methyl-N-phenylbenzamide
CID 86676286
2-tert-butyl-6-chloro-7-(2-fluoropropan-2-ylsulfonyl)-1,3-benzoxazole
CID 118540377
2-anilino-N-(4-tert-butylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334547
N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2,3,4,5,6-pentamethylbenzamide
CID 2250223
2-amino-4,6-dichloro-N-phenylbenzamide
CID 15314627
2,6-dichloro-N-(4-phenyldiazenylphenyl)benzamide
CID 3386476
2,3,4,5,6-pentamethyl-N-phenylbenzamide
CID 60629319
trans-(1R,2R)-2-[(2-tert-butyl-6-chloro-1,3-benzoxazol-7-yl)sulfonyl]cyclopentan-1-ol
CID 118540774

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-phenyl-1,3-benzoxazole-7-carboxamide?
The IUPAC name of 2-tert-butyl-6-chloro-N-phenyl-1,3-benzoxazole-7-carboxamide (CID 102109299) is 2-tert-butyl-6-chloro-N-phenyl-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-phenyl-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for 2-tert-butyl-6-chloro-N-phenyl-1,3-benzoxazole-7-carboxamide is CC(C)(C)c1nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2o1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-phenyl-1,3-benzoxazole-7-carboxamide?
The InChIKey is RNDRXJGBCWBEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-18(2,3)17-21-13-10-9-12(19)14(15(13)23-17)16(22)20-11-7-5-4-6-8-11/h4-10H,1-3H3,(H,20,22).
What are the key properties of 2-tert-butyl-6-chloro-N-phenyl-1,3-benzoxazole-7-carboxamide?
2-tert-butyl-6-chloro-N-phenyl-1,3-benzoxazole-7-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-phenyl-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 102109299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).