5-tert-butyl-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C19H24N2O2 — CID 4063636

IUPAC5-tert-butyl-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2noc3c2CC(C(C)(C)C)CC3)cc1
InChIInChI=1S/C19H24N2O2/c1-12-5-8-14(9-6-12)20-18(22)17-15-11-13(19(2,3)4)7-10-16(15)23-21-17/h5-6,8-9,13H,7,10-11H2,1-4H3,(H,20,22)
InChIKeyYVHSRTXFORQCTF-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.39
Rot. Bonds2

About 5-tert-butyl-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

5-tert-butyl-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 4063636) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 5-tert-butyl-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID4063636
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name5-tert-butyl-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2noc3c2CC(C(C)(C)C)CC3)cc1
InChIInChI=1S/C19H24N2O2/c1-12-5-8-14(9-6-12)20-18(22)17-15-11-13(19(2,3)4)7-10-16(15)23-21-17/h5-6,8-9,13H,7,10-11H2,1-4H3,(H,20,22)
InChIKeyYVHSRTXFORQCTF-UHFFFAOYSA-N
XLogP4.39
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 4063636) is 5-tert-butyl-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is Cc1ccc(NC(=O)c2noc3c2CC(C(C)(C)C)CC3)cc1.
What is the InChIKey of 5-tert-butyl-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is YVHSRTXFORQCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-12-5-8-14(9-6-12)20-18(22)17-15-11-13(19(2,3)4)7-10-16(15)23-21-17/h5-6,8-9,13H,7,10-11H2,1-4H3,(H,20,22).
What are the key properties of 5-tert-butyl-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
5-tert-butyl-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 4063636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).